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1(4), 2012 First Impression : 2012 © International Journal of New Innovations
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INT. J. NEW. INN., 2012, 1(2), i-vii
Editor-in-Chief Dr. Rajni Garg
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INT. J. NEW. INN., 2012, 1(2), i-vii
We are pleased to announce the publication of the fourth issue of the “International Journal of new Innovations (IJNI); a peer – reviewed international Journal. IJNI is a multidisciplinary, open-access, biannual journal committed to publish authenticated and unpublished research work in all areas of science, technology and management. IJNI accepts original contributions as review articles, full papers and short papers. The main objective of IJNI is to develop and promote the high quality research and technological advancement by providing a global platform for the exchange of ideas and research findings in the multidisciplinary fields. This international dimension will not only promote the process of technological innovation, but will also contribute in conceptualization of new innovations at strategic and operational levels. A key highlight of the current issue is a blend of some of the peer-reviewed papers presented in
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Our special thanks are to The Secretary and Principal of National College for the constant encouragement. It is a nice effort by the review committee to classify the papers in a simple way. While Nanomaterials are the mark of our modern civilization. Rajni Garg. semiconductors. ultrasonics and other studies. i-vii ISSN:2277-4459 PREFACE Crystal growth and Nanomaterials are emerging as excellent fields of research attracting multidisciplinary researchers. nanocrystals. 1(2). Advances in materials leads to smaller. several new synthesis methods and advanced instrumentations for characterization have emerged. new methods of growth of nanocrystals and nano crystalline materials adopting self assembly have emerged that makes up our world—the metals. we thank Prof. A. NEW. Research Scholars and Students of Physics Department for the successful conduct of the Seminar.INT. Publishers. The selection of papers for Proceedings publications is purely on the referee evaluations. This seminar has attracted several research efforts across the length and breadth of our country out of which 30 papers are selected to be published in this proceeding..2012 is to present a single forum bringing together the recent findings and research efforts in the country on all aspects related to these two fields of research and contributing significantly to the materials science. the materials’ growth in thin film. On behalf of the Organising Committee of NSCGNM-2012. SERO. Our thanks are also due to the University Grants Commission. The third category falls in to the applications like dielectrics. Editor of the International Journal of New Innovations. nanostructures and subsequent characterization using advanced instrumentation are included. The first and second category. alloys. Crystal Growth and Nano Materials Synthesis and Characterization respectively has attracted more researchers as expected. contributors and all those associated with the publication directly or indirectly of this special proceeding. bulk and single crystals. ceramics. With Regards Dr. The purpose of NSCGNM . Ravichandran Organizing Secretary iii INTERNATIONAL JOURNAL OF NEW INNOVATIONS . nanomaterials with which we make all devices and products. composites.T. We appreciate the efforts of Staff. They were classified in to three principal categories by the review committee. Hyderabad for the financial support in organising the seminar successfully. J. which makes easy access to the papers of interest. INN. 2012. In recent years. faster and smarter devices for future mankind. In this.
385-387 A CRITICAL AND COMPLETE SCRUTINY OF CEC OF THE SOIL USING COHEX METHOD: AN OVERVIEW A. 416-417 10. Parameswaran3. P. S. R. J.Jenitha2.Ravichandran3 GROWTH AND CHARACTERIZATION OF L.Ramesh1. MK. R.Pari2. Balamurali 1*. R.Sathiya1.Perumal3 3. i-vii ISSN:2277-4459 Table of Contents 1. Karunakaran2.Pari3.Catherine Siriya Pushpa1 .Chandramohan2. M.Srinivas2. A. NEW. 388-391 ANNEALING EFFECT ON STRUCTURAL AND OPTICAL PROPERTIES OF ELECTRODEPOSITED CDTE THIN FILM T. Arulmozhi1. Balamurugan3. 407-410 FTIR STUDY OF BINARY MIXTURES OF KETONES WITH SESAME OIL Suhashini Ernest1. J. Chandramohan2. K 2 FABRICATION OF CDS THIN FILM PREPARED BY CBD METHOD 395-397 5. R. Pari2 and J. R. S. G1 and Ramamurthi. S. A. MICROSTRUCTURAL AND SPECTRAL PROPERTIES OF Mn DOPED ZnO DMS THIN FILMS GROWN BY SILAR METHOD S.Ravichandran 3.Ravichandran2 A COMPARATIVE STUDY ON THE STRUCTURES OF ANDROST-5-ENE DERIVATIVES Vasuki. S. 2012. Suriyamoorthi5 2. Robert Xavier1. Srikanth2. S.Bruno Chandrasekar5* 4. J. P2 and Santhakumari3 8. G.T. K.Ravichandran* 7. Dr.Pragadeeswari1. Perumal4 and N. N.Mohamedharoonbasha 1.Daisy Auxilium1.. 398-406 6. S.Vijayalakshmi1 and L.Chandramohan3.INT.Panner2. Balamurugan2. 392-394 CHARACTERIZATION STUDIES ON PURE AND DOPED ADP SINGLE CRYSTALS K. S.T. A. A. Kavitha.Soundaram2.T.T. Madhavan1 GROWTH AND CHARACTERIZATION OF MANGANESE ( II ) CHLORIDE AND L-VALINE DOPED KDP SINGLE CRYSTALS 413-415 9.Pari2. Ravichandran2 418-420 iv INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Murugan2.R. 1(2). P. P.THREONINE (LT) CRYSTAL A. INN. 411-412 GROWTH AND CHARACTERISATION OF ADP & L-LEUCINE AMINO ACID DOPED ADP A. P.
Kalpana2. Thirumalai4and R.Vidhya1. Karunakaran3.Ravichandran3 15. Pari2 and J.Azhagushanmugam1. Pari2 and J.Saranya2. 426-428 14 K.Ravichandran4 GROWTH AND CHARACTERIZATION OF RARE EARTHS DOPED LPHENYLALANINE MALEATE (LPM) SINGLE CRYSTALS U. S.L.Madhavan1* MECHANICAL AND THERMAL CHARACTERIZATION OF L-ARGININE MALEATE (LARM) SINGLE CRYSTALS R. Balamurali2. GROWTH AND CHARACTERIZATION OF PURE AND DOPED POTASSIUM DIHYDROGEN ORTHOPHOSPHATE (KDP) SINGLE CRYSTAL Judith Jayarani.Dhanabalan1. R. Madhavan1* 16. 1(2).Suriyanarayanan2 and R. 432-434 STUDY OF MAGNETIC PROPERTIES OF COZN MIXED SPINEL FERRITE BY CHEMICAL SYNTHESIS ROUTE S. NEW. PHOTOCONDUCTIVITY AND HOMO. Victor Antony Raj1. N.Madhavan1* MICROSTRUCTURE AND HARDNESS OF UNDOPED ZINC OXIDE NANO THIN FILMS GROWN BY SILAR METHOD S.J.T. INN.A1. 435-437 LINEAR AND NON-LINEAR OPTICAL PROPERTIES OF L-THREONINE ACETATE (LTA) SINGLE CRYSTALS G.Jayaprakash3 17. M.K.Victor Antony Raj1.Ramasamy2.INT. i-vii ISSN:2277-4459 11. 2012.J. Karunanithi1. Chandramohan2 438-440 18.Sivakami3 and A. Pari2 and J. S. J. 444-446 v INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Ezhil Vizhian1.kavitha2. S. L. M. S. S. Kirubagaran1. Prabagaran1.Madhavan1* GROWTH AND COMPARISON STUDIES OF PURE AND L-ARGININE DOPED ADP SINGLE CRYSTAL 423-425 13.. Pari2 and J. Prathap1. M. M.G.Vijayalakshmi3 12.T. 441-443 19. GROWTH AND CHARACTERIZATION OF MANGANESE DIAMMONIUM HYDROGEN PHOSPHATE CRYSTAL DOPED 421-422 R.Victor Antony Raj1. S. 429-431 GROWTH STUDIES OF DIELECTRIC. A. R. LUMO OF UREA L – MALIC ACID (ULMA) S.
i-vii ISSN:2277-4459 20. S. SYNTHESIS. V.Selvaraju2* ULTRASONIC VELOCITY STUDIES OF BINARY MIXTURES HEPTANE WITH SESAME OIL. Thendral . SPECTRAL. Arulmozhi1. S. THERMAL AND OPTICAL PROPERTIES OF AMMONIUM DIBORO OXALATE SINGLE CRYSTAL – A SEMI ORGANIC NONLINEAR OPTICAL MATERIAL 461-463 27. Madhavan1* 447-448 21.. SINGLE CRYSTAL GROWTH AND CHARACTERIZATION OF THE NONLINEAR OPTICAL CRYSTAL OF L. Prabakaran1. GROWTH.S. Anuradha1.ALANINE (LA) A. P. 464-466 V.Selvarajan2 and A. 451-452 23. 2012. J.Lucia Rose3 SYNTHESIS. G. S. GROWTH AND STUDIES OF DIGLYCINE SODIUM NITRATE SINGLE CRYSTALS B.Balasubramanian3 and Nixon Sebastian3 OF 449-450 22. Benet Charles2 467-469 vi INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Suhashini Ernest2. Pari2 and J. Pasupathi * and A. Kavitha3 and Jafar Ali K. Kavitha1. Aruna1. 455-457 SYNTHESIS AND CHARACTERIZATION OF NANOPARTICLES BY HYDROTHERMAL METHOD TIN OXIDE 458-460 Alison Christina Fernandez.Rajathi1 and K. STUDY ON MOLECULAR INTERACTIONS IN THE BINARY MIXTURES OF HEPTANE WITH SESAME OIL Kanchana S1. S. Joe Jesudurai 26. Kanchana2.V4 25. P. J. Prathap1. P.INT. Pari2 and J. RARE EARTH DOPED NON-LINEAR OPTICAL SINGLE CRYSTAL LHISTIDINE ACETATE (LHA) P. 453-454 24. S. M. INN. Thayumanavan 1 2 2 28. 1(2).Helina1. SYNTHESIS.J. NEW. Madhavan1* STUDIES ON THE PURE AND CU.DOPED CDS THIN FILMS FOR SOLAR CELL APPLICATIONS S. OPTICAL AND MECHANICAL PROPERTIES OF LARGININE ADDED BIS-THIOUREA POTASSIUM CHLORIDE SINGLE CRYSTALS (BTKL ) G.
Vijayalakshmi4. R.INT. 474-475 S. Pari . NEW.Shunmugasundaram4 THEORETICAL STUDY OF GEOMETRICAL AND NONLINEAR OPTICAL PROPERTIES OF L. SYNTHESIS.John Peter3. S. STRUCTURAL AND OPTICAL PROPERTIES OF CADMIUM DOPED ZINC OXIDE NANOPARTICLES L.. A. 1(2). A. J. Madhavan vii INTERNATIONAL JOURNAL OF NEW INNOVATIONS . J. Arulmozhi.Bruno Chandrasekar 1 .Chandramohan2.THREONINE ACETATE SINGLE CRYSTAL 470-473 30. 2012. INN. i-vii ISSN:2277-4459 29. R.Anees Fathima1 and P.
ZnO is an important material for the application in optoelectronics due to its unique physical and stable chemical properties. Kalpakkam.INT. In order to investigate the effect of post deposition annealing. abundance in nature and absence of toxicity which make it very popular for use in solar cells. economical.003 M is found to yield good MSO films. Morphological optical and photo luminescence properties are reported. optical switches and logic devices Mn doped ZnO is an excellent system useful for several optoelectronic devices. Hence. The Raman spectra recorded for a typical Mn doped ZnO films revealed the characteristic Raman lines with lesser intensities and is in conformity with literature. 385-387 Research Paper ISSN:2277-4459 MICROSTRUCTURAL AND SPECTRAL PROPERTIES OF Mn DOPED ZnO DMS THIN FILMS GROWN BY SILAR METHOD S. The effect of Mn doping on the microstructure and its influence on the formation of c-axis oriented ZnO film was discussed and the results are presented for the optimized conditions. crystal ZnO film with stronger ( 002) preferred orientation will increase the Hall mobility . It shows that the high intense peak is oriented along the c-direction and the corresponding peak is (002). The ‘Mn’ doping was carried out by adding the respective metallic salts in the solution bath at different proportions (Zn:Mn). NEW. and can be applied at room temperature for varieties of system. high-quality caxis-oriented ZnO films are very favorable due to effective ionic charges between the alternating Zn and O layers . India 5 Radiological safety Division Center. India – 603 102 4 Department of Physics. 3. Karunakaran2. intense research is being targeted towards spintronics material such as spin transistor. However. Devakottai.. Karaikudi-630003. 2012. the purpose of this investigation is to demonstrate the low cost deposition of ZnO thin films doped with Mn and to characterize the strongly c-axisoriented ZnO films for their microstructure. The successive ionic layer adsorption and reaction method (SILAR) is simple. Morphology. INTRODUCTION Dilute magnetic semiconductor(DMS) has recently been a major focus of magnetic semiconductor. most of the practical devices of ZnO materials are based on the polycrystalline ZnO . The structural. light-emitting devices. Perumal4 and N.2 employing SILAR method.2 M sodium hydroxide at a pH value of 10±0. P. Photo luminescence. The ZnO thin film formed employing 100 number of drippings were subsequently characterized by X ray diffraction (XRD) for structure and Scanning electron Microscopy (SEM) for Morphology after uniform heat treatment of 300 degree Celsius for 30 minutes. N. Raman shift. Kaniyur. photo detectors. Balamurali 1*. Suriyamoorthi5 1 Department of Physics. spin LED. India – 641 659 2 Annamalai Chettiar Research laboratory.1 M zinc sulphate. The doping concentration of magnesium sulphate as 0. 0. In addition to this. 1(4). India – 630 303 3 Materials Science Group. Alagappa Government Arts College. 1. The observed ‘d’ spacing values are in good agreement with the standard values of ZnO (JCPDS 89-0511). Coimbatore. The films quality is comparable with those grown with physical methods and is suitable for spintronic applications. this crystal ZnO film with stronger (002) preferred orientation will increase the Hall mobility . Also Crystallized ZnO seed layers have a hexagonal crystal structure which was confirmed by the main diffracted peaks for the (1 0 0) and (1 0 2) planes . Chandramohan2. Keywords: Doping effect. Parameswaran3. The ZnO film with stronger (002) preferred orientation and uniform surface with less voids. P. It is essential to grow high-quality c-axis-oriented ZnO films for crucial applications in the future. In these backdrops. India – 603 102 Abstract: Dilute magnetic transparent conducting Mn doped ZnO thin films have been prepared by SILAR method.Soundaram2. thin film transistors and surface acoustic wave guides. R. Besides. Srikanth2. Presently. Kalpakkam. 385 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . EXPERIMENTAL In this study Mn doped ZnO thin films were grown using a two-step chemical bath deposition technique using a solution comprising 0.1 shows the XRD pattern of Mn doped ZnO film. J. PARK College of Engineering and Technology. IGCAR. Sree Sevugan Annamalai College. non-volatile memory. The results are presented for the best optimized condition of ZnO: Mn as 100:3. films have been processed at various temperatures 350OC for 30 min under optimized condition. 2. MK. the technique is viable for large area deposition with great simplicity and economy . IGCAR. The deposition conditions have been optimized based on their structure and on the formation of adherent thin films and near stoichiometry. RESULTS AND DISCUSSION Figure. M. for the applications of optoelectronic devices. INN.
The low intensity of peaks suggests that there are lesser surface states and absence of trapped charge carriers. The disappearance of 577 cm-1 peak is associated with higher doping concentration and associated lattice distortion. 4. EDX spectrum with elemental mapping of synthesized MZO film is shown.INT. The EDX elemental mapping shows the uniform distribution of Mn and ZnO which indicates the formation of MZO film. Hexagonal shaped grains without voids are clearly seen. The X-ray diffraction patterns for Mn doped ZnO thin films FIGURE 2. The peaks were found near 314.459. Hence the overall structure of the doped films remains unchanged with the introduction of Mn.410. In our study the Mn doped ZnO film yield a peak at 599 cm-1 for the reasons unknown. SEM and EDX picture of Mn doped ZnO thin film 250 314 200 Intensity (a. The Mn doped ZnO have some spherical shaped with uniform distribution of grains as shown in fig. However the intensity of these peaks are quite less. 437 and 586 nm respectively.527 and 593 cm-1 respecitively. PL spectrum of Mn doped ZnO thin film INTERNATIONAL JOURNAL OF NEW INNOVATIONS . The films quality is comparable with those grown with physical methods and is suitable for spintronic applications. At the center of the Brilluion zone. Fig. Doping is an effective approach to adjusting the Fermi energy level for semiconductors. Raman shift of Mn doped ZnO thin film ZnO:Mn/Glass 100 Dips 200 Dips 362 400 450 500 550 586 600 Wavelength (nm) FIGURE 4. The Raman spectra recorded at different excitations wavelength the Mn ion at Zn ion state disappears when the doping concentration is large . 385-387 Research Paper Balamurli et al _______________________________________________________________________________________________ Intensity (Arb. Zhong et al  also observed a peak at 524 to 527 cm-1. It has been proposed that the blue green emission in the material might be associated with a transition with a self-activated center formed by a doubled ionized zinc vacancy and single ionized interstate.. Cao et al  have reported that the broad band between 900 and 1200 cm-1 is due to the convolution of Raman band of the Mn doped ZnO films with the glass substrate. Fig. 386 (002) Zn:Mn Intensity (arbitary unit) (100) (101) (102) (110) (103) 50 60 20 30 40 (112) 70 80 2 (degree) Figure 1. The deep level emission corresponds to the zinc vacancy and anti-site defect by Yang et al .u) 150 398 410 459 527 593 100 200 250 300 350 400 450 -1 500 550 600 Raman Shift (cm ) FIGURE 3. The 527 and 593 peak is associated with additional vibrational modes by Yang et al . The average surface grain size increases with increasing Mn content. The modified Raman modes with slight modifications are found to be present. 412. 2012. NEW. INN. The particle size is 400 nm. The peak appears at 362. In this system no carbon contamination present. 3 shows the typical room temperature Raman spectra of as grown Mn doped ZnO thin films. 3 shows that the PL emission and excitation spectra. The sub-band transition located at about 362 and 412 nm. 2. 1(3). Hence Mn doped ZnO systems show a vivid picture of the vibrational states. CONCLUSION The ZnO thin films with Mn doping are synthesized by a low cost SILAR method. An intense peak at 577 cm -1 is reported for undoped systems. J. The structural studies revealed that the ZnO films are with (002) texturing and remains unaltered due to Mn doping. 398. group theory predicts some lattice optical phonon in zinc oxide having Wurtizte structure. Units) The studies reveal that Mn is incorporated into the lattice but ZnO structure is retained. The MZO have the flower grains with agglomeration. Zn at the one end or two nearest neighbor interstitial sites.
INT. J. NEW. INN., 2012, 1(3), 385-387
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The morphological and optical properties are studied and reported. Raman spectra reveal some modified raman modes. It is observed that the overall structure of ZnO remains unaffected with minor rearrangements during doping of Mn. The films exhibit excellent luminescence properties for a doping concentration around 3 at. %. The films quality is comparable with those grown with physical methods and is suitable for spintronic applications. REFERENCES
 T.A. Vijayan, R Chandramohan, S. Valanarasu, J. Thirumalai, S. Venkateswaran; T. Mahalingam and SR. Srikumar, Science and Tech of Adv. Materials 9 (2008) 035007.
 H. Cao, Y.G. Zhao, H.C. Ong, S.T. Ho, J.Y. Dai, J.Y. Wu, R.P.H. Chang, Appl. Phys.Lett. 73 (1998) 3656–3658 . M.H. Koch, R.N. Lamb, G.L. Mar, P.Y. Timbrell, US Patent 6,921,552 (March 26,2005).  Y. Gu, X. Li,W. Yu, X. Gao, J. Zhao, C. Yang, J. Cryst. Growth 305 (1) (2007) 36–39.  E. Bauer, in: M.H. Francombe, H. Sato (Eds.), Single Crystal Films, Pergamon, London, 1964, p. 43.  L. Cao, B. S. Zou, C.R. Li, Z.B. Zhang, S.S. Xie and G.Z. Yang, Europhys. Lett. 68 (2004) 770  H.Zhong, J. Wang, X. Chen, Xu.W. Liz, and W. Lu J,Appl. Phys. 99 (2005) 103905  L.W. Yang, X.L. Wu, G.S. Huang, T. Qiu and Y. M. Yang, J. Appl. Phys 97 (2005) 014308
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INT. J. NEW. INN., 2012, 1(4), 388-391
A CRITICAL AND COMPLETE SCRUTINY OF CEC OF THE SOIL USING COHEX METHOD: AN OVERVIEW
A.Mohamedharoonbasha 1, Dr.R.Chandramohan2, P.Perumal3
Physics Department, RVS College of Engineering and Tech. Dindigul, 624 005, India 2 Physics Department, Sree Sevugan Annamalai College, Devakottai, 63030, India 3 Physics Department, Alagappa Government Arts College, Karaikudi 630003, India Email: firstname.lastname@example.org
Abstract: The essential features of soil are brought to light by the Cation Exchange capacity Measurements. The capability of soils is shown because of the soils’ mobility in order to maintain the cations. The focus of this study is mainly on analyzing the results pertaining to the three standardized method s for determining the Cation exchange capacity (CEC)and Exchangeable cations in the soils based on three different exchange reagents which are Cobalt hexamine(cohex)trichloride, barium chloride and ammonium acetate. Like the reagents, the exchange procedure namely single extraction, successive extraction that are followed prove to be entirely different. The values when compared and calculated with barium and cohex as index cations show the uniformity .These two methods can be termed equivalent. Ammonium acetate, which buffers the pH of the extracts, results in the differences in the proportion of negatively charged sites, particularly those linked with organic matter. This leads to large differences from CEC values brought out with the remaining two method s. Compared to barium chloride method, cohex method is highly feasible and it possesses good repeatability. The soil is characterized with more appropriateness with regard to cohex method than the barium chloride method. Keywords: Cation exchange capacity (CEC) / cobalt hexamine (cohex) trichloride
1. Introduction In order to measure the Cation exchange capacity (CEC) of soils, many methods are already available (chapman, 1965 Rhoades, 1982).The CEC value we obtained is the outcome of a specific state of equanimity between the test sample and the given environment. It consists of a reagent and the chosen experimental condition. The great variation in the ionic strength of the reagent solution or the pH of the suspension is evident (morais et al, 1976; Gillman et,al,1983). The cohex with its simple octahedral structure is often coated as the apt example for explaining the concomitant roles of the s,p and d orbitals in chemical transition metals (Gray,1969). The stable cohex exchanges very easily and offers satisfactorily and accurate results with little reagent excess through it is relatively large (its ionic radius is 0.323nm according to Morel, 1957). The possibility of good precision with the measurements of CEC is obtained with cohex chloride which is an unbuffered reagent. An additional advantage of cohex chloride is that it can be used in solution at low concentration (0.0166ol.L .Because these conditions come close to natural soil condition (Guadalix etal, 1988). Cohex chloride is used in three different procedures like single extraction, successive extraction (NF ISO 11260) and they have been already emulated and examined. This article aims at critically examining and comparing the methods by using three electrolytes 388
namely cohex chloride, barium chloride ammonium acetate have been compared.
2. Material and Methods Soil Samples have been collected various parts of Tamilnadu, India, fifteen samples were chosen from the surface horizon of each cultivated soil and the samples were air dried and examined with the standardized methods. 2.1 The ammonium acetate method Metson proposed this Ammonium acetate method in 1956. Subsequently, it is extensively used all over the world. This method underwent many modifications and adaptations as suggested in France by Lefevre (1961). As described in the French standard AFNOR NFX 31-130. Accordingly, a percolation of a 1 mol.L-1 ammonium acetate solution (~75ml) through a test portion of 2.5g of soil is carried out by the ammonium saturation of the exchange sites. As result the excess reagent is taken out with several rinsing with ethanol (~75ml).The solid phase then after drying in air is agitated in 50 ml of a 1molL-1 solution of a sodium chloride .The spectrocolorimetry measures the exchanged ammonium. It also gives out the measurement of CEC. This is followed by a single extraction of 2.5g of sample in 50ml of a molar solution of ammonium acetate in which the cations are currently measured instantly. Such procedure is seen in the AFNOR NFX 31-108 standard.
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____________________________________________________________________________________ 2.2 The Barium chloride method. It was in 1979 that Gillman proposed this method for the first time. Later Gillman and sumpter, 1986, modified the same. Furthermore it was tested and it underwent many adoptions after it was standardized in 1994.The same later is described and referred to by ISO 11260.With 30ml of 0.1 mol.L-1 BaCl2 solution with 2.5g of test portion is shaken (1h) and tested. A centrifugation separates the solid and liquid phases. Twice this operation is repeated. Then the three supernatants are collected. They are then used for the determination of exchanged cation. The soil with 30ml of 0.0025 mol.L-1 BaCl2 is equilibrated and the solid portion is shaken again .But the next time the same process continues with 30ml of 0.02mol.L-1 magnesium sulphate (mgso4) solution.(initially the shaking time was 2h but in the last time it has done overnight). As a result, the barium exchange with magnesium is absorbed and then it precipitated in the form of Baso4. The dreg of the content is then measured by flame atomic absorption spectrometry. It is then subtracted from the formal content. The CEC values have this difference. 2.3 The cobalt hexamine chloride (Cohex) method: A previous study ciesielski and sterckeman, 1997 describes the operating procedure. It forms our basic reference. It says that by simply shaking the test portion in the reagent the exchange is carried out .For 100ml reagent, the quantity of test portion weighed (2.5g). The sufficient concentration of cohex ions remaining in solution, this is a concentration determined by spectrocolorimetry without any chemical pretreatment of the solution. The cohex loss from solution gives the CEC of the sample. The flame atomic absorption spectrometry measures the Ca and Mg and the flame atomic emission spectrometer for exchangeable cation contents. 3. Results and Discussion The particular behavior among the tested samples can be revealed through comparing different methods. These tested samples show that the reactions caused by the extract ants may differ, depending upon the soil characteristics. On the other hand, the compared methods are considered equivalent when closer linear correlations are observed. Perceptively, we note a clear distinction between two kinds of equivalent: A metrological equivalence and physicochemical equivalence. The previous one is relative to the measured quantities called interchangeability. Ciesielski and Sterckeman (1997) have already discussed the requirements needed to meet each kind of equivalence and the identical conditions adopted in the present work. The ammonium acetate (Buffered reagent) method is not equivalent to the cohex chloride (Unbuffered reagent) method because of a large range of their pH values. Ammonium acetate provokes a higher pH in acid soil suspensions, which causing an increase in the negatively charged sites of organic matter. Barium Chloride extracts larger quantities of cations (Abacl2 > 1) but for all the parameters, the comparison of the cohex chloride, the amount of cations extracted and determination coefficients are then lower for Barium Chloride as compared with cohex chloride (A1cohex > Abacl2). This shows that the yield of exchange reaction of cohex chloride is more compared to other two methods.
Table 1. Comparison of cation exchange capacity (CEC) and exchangeable cations obtained from cohex chloride and barium chloride methods.
All Soils Units CEC Cmol Kg 0.879 K1 0.887 1.112 K2 0.892
Calcium All Soils CEC 1.142 0.829 1.107 0.812
Magnesium Acid Soils Cmol Kg-1 1.062 0.893 1.132 0.889 All Soils CEC 1.112 0.865 1.001 0.852
Potassium All Soils CEC 1.197 0.859 1.136 0.847
Acid Soils Cmol Kg-1 1.067 0.862 1.129 0.843
Acid Soils Cmol Kg-1 1.187 0.884 1.229 0.887
K1 =YBacl2 = ABacl2 * Ysingle : K2 =Y coefficients
& d’2Cohex – determination
ABacl2 & A1 Cohex – regression coefficients
Ysingle : Cohex single extraction 389
INTERNATIONAL JOURNAL OF NEW INNOVATIONS
3. Cohex – Successive Extractions The exchange is carried out with 2. The sample masses of 2g.876 Potassium Acid soils 1.5g. Calcium Units Aammo d’2cohex CEC all Soils 0. 1(4).024 0. 2.159 0.5.1. This method was repeated twice.164 0.112 : d’2Cohex = 0.872 CEC All soils 1.864 CEC All soils 1. after pipetting an equal volume of each of them.812 CEC All soils 1.194 Acid soils 1.887 A1 Cohex = 1.5 cmolkg-1 respectively. 2012.664 Magnesium Acid soils 1.124 0.. 30 and 80. Cohex-single Extraction The volume of the reagent 100ml with a concentration of cohex is of 5cmol+L-1 has taken with 5g of test sample (soil).5. 388-391 Research paper Basha et al ____________________________________________________________________________________ YCohex successive extractions ABacl2 = 0. Comparison of cation exchange capacity (CEC) and exchangeable cations obtained from cohex chloride and Ammonium acetate methods. especially for calcareous soils with exception of saturation rates seem to be INTERNATIONAL JOURNAL OF NEW INNOVATIONS . INN.892 Table 2.INT.811 Aammo : regression coefficients .879 : d2 Bacl2 = 0. Conclusion The validity of a direct spectrocolorimetric determination of the cohex ion is analyzed in this study.010 0.179 0. It is also further brings out the fact that the repeatability of measurements is improved.5g sample taken with 50ml of a solution containing 5CmolL390 1 cohex ion. d’2cohex : determination coefficients 3. Direct spectrocolorimetry provides better repeatability of the measurement. which were mixed together. which was shaken for 2h at 200c. thus yielding three extracts. and then it has filtered with low filteration speed filter paper. J. 3g where used to extend the ranges between 2. The nature of the physiochemical mechanism taken in for study and the magnitude of the incidence on the recorded parameters. The suspension was shaken for 2h at 200c. 4. NEW. With method the exchange is achieved and the operating conditions chosen (Orsini and Remy: 1976).642 0.2.
Tessier D. and Corey. J. .L. and Leighty. This conclusion is the outcome of the comparison of the different exchange procedure. and Rostad. R. . 2012.INT.330. N Z Soil Bur Bull n 12 . III A. Canadian Journal of Soil Science. Metson AJ (1956) Methods of chemical analysis for soil survey samples. Sumpter EA (1986) Modification to the compulsive exchange method for measuring exchange characteristics of soils. Soil Science & Plant Analysis.. (1997): Cation exchange and buffer potential of Saskatchewan soils estimated from texture. Recueils de norms Francaise.P. Helling. Paris. and pedro G. J. . Parfitt. 621-626.B.S. 1-7. T. (2000): Contribution des argiles et des matieres organiques a la retention de l’eau dans les sols. N.W. Yuan. The CEC value obtained from cohex is highly reliable. organic matter and pH. for most of the applications go beyond the suitable interest of a better yield in cases like dissolution of non-exchangeable species or the utilization of more intricate and time consuming procedure.605-608. Signification et role fundamental de la capacite d’echange en cations. Soil Sci Soc Am J 50. R. NEW. 17.AFNOR. (1997): Determination of exchange capacity and exchangeable cations in soils by means of cobalt hexamine trichloride.:Chesters. AFNOR (1996): Qualite des sols. 123-129. Heddleson MR. 77. Post GJ (1959) Aluminium in soils. Duquette M (1986) A simple barium chloride method for determining cation exchange capacity and exchangeable cations. C. Bigorre.. However this equivalence should never be taken to indicate that the methods are mutually changeable with regard to metrological respects. 388-391 Research paper Basha et al ____________________________________________________________________________________ equivalent.F. (1964): Contribution of organic matter and clay to soil cation exchange capacity as affected by pH of the saturating solution.J. . References . .France. 129-139. Compte Rendu d’Academie des Sciences. Comparison of extraction methods in soils and clays. Soil Science. 26. Gammon. (1967): Relative contribution of organic clay fractions to cation exchange capacity of sandy soils from several groups. Improvement in the yield of the exchange reaction does not basically change the scale of the values obtained from the certain level.S. Curtin. A proposed method for the measurement exchange properties of highly weathered soils. accurate and optimized when compared to the other two methods. Soil Society of American Journal.533p. Aust J Soil Res 17. 104. R. Agronomie. O. Gillman GP (1979). the use of single extraction for routine analysis is recommended eventually. INN. McLean EO.. Giltrap.Sciences de la terre planets. . H.245-250. 173-192. 391 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .soil Sci Soc Am Proc 23. Gillman GP. . . After repeated consideration of different aspects..L. Aust J Soil Res 24. 1(4). 289293 . 517-520. and Whitton. (1995): Contribution of organic matter and clay mineral to the cation exchange capacity of soils. . T. paris. 28. Effects of experimental conditions. and Sterckemann. G.O. Handershot WH. H.G. Disadvantages. These remain comparable besides being a coefficient close to one. Ciesielski.
1 shows the XRD pattern of CdTe thin film. saturated calomel electrode (SCE) serving as the reference electrode and a platinum foil was used as the counter electrode. CdTe is one of the most important group II-VI semiconductors since it has the ideal band gap for solar energy and can absorb the majority of sun light within a few microns . The change in the properties at this length scale is not a result of scaling factors.5 g of CdTe powder mixed with 60 ml of mercury. Energy Dispersive Analysis using X-Rays (EDAX) and UV-Vis spectroscopy. R. After annealing the films are crystalline as shown in Fig 2. India.com Abstract: The effect of annealing on the structural and optical properties of electrodeposited CdTe thin film was investigated.Sathiya1. Department of Physics. Keywords: annealing. Photo electrochemical and photovoltaic solar cells. *E-mail: bs. INN.94 / cos where D is the crystallite size. nuclear radiation detectors. scanning electron microscopy (SEM). Fig. NEW. was used as the working electrode. J. Results & Discussions 3.54 Ǻ. the structural properties were estimated. (101).Bruno Chandrasekar5* 1 2 Department of Physics. Introduction The interest in nano-materials is due to the fact that new properties are acquires at nanoscale and. is the full width at half maxima (FWHM) in radians and is the Bragg’s angle. Most of the CdTe films are electrodeposited using a bath comprising Cadmium sulphate/chloride/nitrate and Tellurium dioxide . Devakottai-630303. A variety of methods have been used for the preparation of CdTe thin films including metal organic chemical vapour deposition (MOCVD) . P.Scherer’s formula of the film is found to be 1. It has practical importance in technology of thin film devices such as field effect transistors. etc . X-ray diffraction technique is a powerful tool to study crystal structure of the material. The American College. It results from different causes in different materials like quantum confinement.650 mV/SCE at 60 degree Celsius. The XRD pattern of CdTe thin film is in coincidence with the standard JCPDS (41-0941).933 nm for as-deposited film and 9. The chemical composition of the films was also estimated and the morphological properties were studied. The films were characterized using x-ray diffraction (XRD).sambruno@gmail. In this electrolyte procedure. size dependent properties and surface and degenerate properties .Vijayalakshmi1 and L. 2012.Panner2. 392-394 Research Paper ISSN:2277-4459 ANNEALING EFFECT ON STRUCTURAL AND OPTICAL PROPERTIES OF ELECTRODEPOSITED CdTe THIN FILM T. India. 3. Mannar Thirumalai Nayyakkar College. India. the electrodepostion was carried out in a threeelectrode cell system in which indium tin oxide glass plates around 20 Ω2. polycrystalline. is the wavelength of the Cu-k line.Chandramohan3. 4 Department of Physics. Madurai-625002. The average grain size using Debye . chemical bath deposition . In this paper. that these properties change with their size or shape. band gap 1. This solution was subsequently dispersed in water. INTERNATIONAL JOURNAL OF NEW INNOVATIONS . 1(4). Experimental Procedure All chemicals were AR grade and were used as such in the electrolyte without any purification. equally important. vapour-liquid-solid technique . India. In this study the precursor solution was prepared by taking 0. chemical molecular beam deposition method .INT. The structural and the optical properties of the as-deposited film and the annealed film were studied. the grain size of the material increases.Scherer’s formula . R. Due to the annealing.1 Structural Study The structure of the as-deposited and annealed CdTe thin film was examined by x-ray diffraction technique with monochromatic Cu-Kα radiation with the wavelength of 1. Sree-Sevugan Annamalai College. This is one advantage of the electrodepostion system. X-ray diffraction studies showed that the electrodeposited CdTe thin films were polycrystalline in nature. The films are little amorphous under as deposited conditions. we report our investigations on structural and optical properties of CdTe thin film using electro deposition technique on to Indium Tin oxide conducting substrates. stacked layer method . For annealing a temperature of 400 degree Celsius for 30 minutes were used uniformly.075 nm for annealed film.. The high intensity peak. close spaced sublimation technique  and SILAR . 3 Department of Physics. 2. Madurai-625009. Thiyagarajar College of Arts & Science. D = 0. Madurai-625007. Subsequent stirring and heat treatment were 392 carried out until the powder is totally mixed in Hg to resulting in a saturated solution. The band gap was calculated using UV-Vis spectrum. Crystallite size was calculated using Debye. thin film. The depositions were carried out potentiostatically at a potential of . A thin film of CdTe with thickness of approximately 2m will absorb nearly 100% of the incident solar radiation . has been chosen to calculate the particle size.
The as-deposited film has the dislocation density of 0. A is a constant and n = 2 for allowed direct transition. The structural properties of CdTe film are tabulated in Table 1. NEW. 2012.INT.. 2: XRD pattern of Annealed CdTe Film The EDAX spectra show the chemical composition of CdTe film. 3. 1(3).4 Optical Properties The optical absorption spectra of as-deposited and annealed CdTe thin film were recorded and shown in figures 7 and 8 respectively.435 0.268 lines/nm2 Annealed film 9. 3.435 due to the annealing.]/ tan . The atomic percentage of Cd and Te were found to be 63. Morphological Study Scanning electron microscopy is a convenient tool to study the surface morphology of micro and nanomaterials. The SEM micrographs are recorded at 20 kV with magnification 10 K.012 lines/nm2. The Cd and Te peaks are found and no other impurities are found.412 to 5. 1: XRD pattern of as-deposited CdTe Film Counts CdTe The strain was calculated using the formula = 1/D2. 392-394 Research Paper Sathiya et al _______________________________________________________________________________________________ Counts CdTe Table 1: Structural Properties of CdTe Film Structural Properties As-deposited Film 1.79 respectively for as-deposited film and 65. A slight improvement in the film surface crystallinity is observed as shown in figure 4 after annealing. The average strain of the material can be calculated using the equation = [( / Dcos) . 3.12 and 34.012 lines/nm2 100 Grain Size Strain Dislocation density 50 0 20 30 40 Position [°2Theta] 50 60 70 Fig.3 Compositional Analysis 200 100 0 20 30 40 Position [°2Theta] 50 60 70 Fig.47 eV for annealed film. It is observed that initially the CdTe formed is unreacted Te atoms and being noble reacts with the environment to yield a little higher band gap material which is slightly unstable. The calculated band gap is 1. J. The improvement in Cd atoms and decrease in Te atoms after annealing may be associated with evaporation of unreacted Te component and de composition of surface Cd layer well in to the reaction. The extremely smooth morphology is achieved. The films had spherical grains and nearly uniform grain size. Fig 3: SEM Image of As-deposited CdTe Film Fig 4: SEM Image of Annealed CdTe Film 393 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .88 respectively for films annealed film. Figure 3 shows the SEM image of as-deposited and figure 4 shows the SEM image of annealed CdTe film. The strain of the material increases from 0.933 nm 0.268 lines/nm2 whereas the annealed film has 0. INN.21 and 36.2. This indicates the high purity of CdTe film.69 eV for as-deposited film and is 1. The band gap Eg was calculated using following relation. The EDAX was recorded in the binding energy region between 0 – 20 keV.412 0.Eg)n Where h is the photon energy. αh = A (h .075 nm 5.
L.  Nicholas icausi.. Sanjeeviraja and S. Chalcogenide Lett.E.V.Stefanakos.M.El-Sayed.C. The annealing effects on structural and optical properties were studied. I. Kouchkarov. Huafang Li. 105 (2005) 1025.INT. P. 4.Deivanayaki. Solar Energy.Vigil-Galan.6 0. Carlos Luiz Ferreira.Elec. X.Alexander.” Bulletin of Electrochemistry. 9 (2006) 47. The average grain size is 2 nm for the as-deposited film and 9 nm for the annealed film. K.K.Upadhyaya.Ostapenko. R. 44 (2006) 254. H. References  Clemens Burda. G.6 0.8 %A 0. R. 83 (2009) 90.  T.9 %A 0.Mathew.M. Dybjec.polychroniadis. 7 (2005) 1957. INN. 38 (2009) 1600. Emirov. Contreras-Puente. Leila osa de Oliveira. Conclusion   CdTe thin film was successfully deposited by potentiostatic electrodepostion method. E. D.M.2 0. “Studies on Electrochemically Deposited CdSe Thin Films.P.Jeyamurugan. Xiaobo Chen. Jeong-Soo Lee.Mat. Razykov. Nanotech.4 400 800 Wavelength(nm) Fig 6: EDAX Spectrum of Annealed CdTe Film Fig 8: UV-Vis Spectrum of Annealed CdTe Film A.. X-ray Diffraction Procedures for Ploycrystalline and Amorphous Materials.. 1996.Meyyappan.. Fu Tang. C. Wagner Anacleto Pinheiro. E.K.. Vol. 7. G.69 eV to 1. M.47 eV due to the annealing at 400 °C. Chornokuv. Yu.Mariappan. M. Ferekides.      394 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Srikumar.j. Wiley. Radha Narayanan. O.Phys.Adv. S. The band gap of the material decreased from 1. Reza S Yassar. NEW. 2nd edition. B.2010.. Thomas Parker.S. S. Chem. 1974.Mat. Hubbimov.Rusu. Mat.Ubale. Tho-Ming Lu. pp. Wen Yuan. A. Gwo-Ching wang.Kulkarni. H. Hessam M Ghassemi. 148-150. Ishwara Bhat. D. Mostafa A. Mahalingam. J. Vivienne Denise Falcao. On annealing the films are found to be expanding its lattices to remove the excess atoms and a stable CdTe phase might have been formed as the band gap value is close to that reported for CdTe .3 600 900 Wavelength(nm) Fig 5: EDAX Spectrum of As-deposited CdTe Film Fig 7: UV-Vis Spectrum of As-deposited CdTe Film 0. C.Res.U. Xuhui Sun.Sanchez-Meza.Pure & App. Yu. M.Klug. B. 2012. 22 (2011) 435204. E. C. Ikramov. G. Keivan Davami. Ergashev. J.Rusu. 12.Lioutas..Morel.G. V.Vorobiev. 159. 392-394 Research Paper Sathiya et al _______________________________________________________________________________________________ 1.Rev. J.Optoelec. 1(3).Ponnuswamy. T.
it exhibits both acidic as well as basic behaviors and capable of forming hydrogen bonds. FTIR spectra of pure and L-alanine doped ADP crystals and L-arginine doped L-alanine ADP crystals are shown in figure 1.T.Pari2. The solutions were prepared.49cm-1. Keywords: ADP. The dielectric behavior of the samples has been studied.Catherine Siriya Pushpa1 . 2. Characterization The grown crystals were subjected to the microhardness study. Good quality seed crystals were used to grow good quality single crystals 2.Jenitha2. Modification in the lattice parameters has been observed. N_H stretching ammonia at 2850 cm-1 and PO4 vibration gives their peaks at 558. UV-Vis-NIR study. filtered and kept for slow evaporation. dielectric loss (tan δ). Introduction Ammonium Dihydrogen Phosphate (NH4H2PO4) is an inorganic. Semi organic materials posses the advantage of both organic and inorganic materials in terms of high thermal and mechanical stability as well as broad optical frequency range. FT-IR of pure and doped crystals confirm qualitatively the doping of the L-alanine in ADP crystal and L. As L-arginine contains amine and carboxylic group. It contains steriocenters (chemical center) and thus it is optically active having large second harmonic generation SHG efficiency [17-18]. UV-vis-NIR spectroscopy shows an improvement of transparency. powder XRD study and dielectric study. P_O_H stretching at 1098. to harvest seed crystal within 3 days.1 FT-IR Spectroscopy Study FT-IR spectrometer of doped crystals were recorded using SP 1800 spectrometer in the range 400-4000 cm-1. In the FTIR spectrum of pure ADP the 0-H stretching vibration of water happened at 3132cm-1. UV-Vis-NIR. In the present work an attempt has been made to study the effect of dopant L-arginine on different properties of ADP. So L-alanine doped inorganic material like ADP will be of special interest as a fundamental building block to develop many complex crystals with improved NLO properties.Thanjavur 2 Department of Physics. 1(4). In the last decade the numerous applications of the nonlinear optical (NLO) crystals have been discussed in the field of science and technology .2. higher SHG (Second Harmonic Generation) and high damage threshold [7-9]. 395 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Result and Discussion 3. NEW.arginine in L-alanine doped ADP crystal.84cm-1. The influence if additives produce shift in vibrational frequencies of functional groups and %of T. L-alanine of 5 mol% was taken and stirred well with the mother solvent. the ADP crystal is somewhat noticed.. L-alanine. Tiruchirappalli Abstract: Single crystals of pure and amino acids (L-alanine and L-arginine) doped ADP were grown using low temperature solution growth method by employing slow evaporation technique. St. J. AC resistivity and AC conductivity with frequency of applied field were studied and hardness was found. antiferroelectric and non linear optical material. L-arginine has been selected as a dopant because it is carboxylic acids having an amino group. XRD 1.1 Crystal Growth The ADP salt was dissolved in double distilled water. 2012. and was stirred using magnetic stirrer for two hours to obtain a mother solvent. Again L-arginine of 5 mol% was taken and stirred along with L-alanine doped ADP.Ravichandran2 1 Department of Physics. The variation of dielectric constant. It was reported that the addition of some of the amino acids as dopant enhances the nonlinear optical and piezoelectric properties of inorganic materials [15-16]. piezoelectric. J.INT. INN. L-arginine. As per doping study concern. XRD structural analysis was discussed. National College.9 cm-1 and 474. FT-IR. Experimental 2. A. 3. Josephs’ College of Engineering and Technology. FT-IR study. Many reasonable studies have been carried out on pure ADP crystals [10-14]. S. 395-397 Research Paper ISSN:2277-4459 CHARACTERIZATION STUDIES ON PURE AND DOPED ADP SINGLE CRYSTALS K.
1098. The P-O-H stretching from. From UV-vis range spectra of pure and Lalanine doped ADP and L-arginine doped LA doped ADP crystals it is clear that the transparency increases with addition of some dopants (figure 2).50cm-1 and PO4 vibrations are shifted from 474. 3. Similarly N-H stretching ammonia form 2850cm-1 shifted to 2889. Each sample was electroded on either side with air-drying silver paste so that it behaved like a parallel plate capacitor. The data has been analyzed and unit cell has been calculated.020 º over a range of 16. The dielectric constant (ε) and dielectric loss (tanδ) were calculated from C and D using the relations.. 1(3).49 to 482. 2012. ε= Cd/ Aε0 and tanδ= Dε where C is the capacitance of the sample. NEW. 3.1. At the area of the face in contact with the electrode and ε0 the permittivity of free space. 3. UV-vis-NIR studies 3. J.INT. d the thickness of the sample.680 to 78. INN. Similarly the FTIR spectra of L-arginine doped with LA doped ADP crystals show some more peaks which confirms the presence of L-arginine in the host crystal.860.4 Dielectric Measurement 396 The extended portions of the crystals were removed completely and the samples were ground to proper thickness and polished.3 Powder X-Ray Diffraction The powder X-ray diffraction patterns of the pure and 5 mol% L-alanine doped ADP and 5 mol% L-arginine doped LA with ADP crystals were recorded on X-ray diffractometer. 395-397 Research Paper Pushpa et al _______________________________________________________________________________________________ Fig.5 Microhardness INTERNATIONAL JOURNAL OF NEW INNOVATIONS . ADP+AL+AR ADP+ALA ADP 100 75 50 25 0 190 292 394 496 598 700 802 904 1006 Figure 2.84 is shifted to 1099. FTIR spectra of pure and L-alanine doped ADP crystals and L-arginine doped L-alanine ADP crystals The FTIR spectra of L-alanine doped ADP crystals and L-arginine doped L-alanine ADP crystals showed that the peak positions have been moved from lower to higher wave number due to the presence of L-alanine into ADP.50 cm-1 which confirmed the presence of L-alanine on the lattice of ADP crystals.2 UV-Vis-NIR studies The UV-Vis-NIR spectroscopy was performed on the samples using over the wavelength range of 190nm to 1100nm.92. The powder samples were scanned in steps of 0.
Mahadevan.Sakai. Large value of dielectric constant at low frequencies 397 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .INT.”Journal of Applied Chemistry.jcrysgro. Vol. Inc.17. Vol.1002/jctb.” Chemical Bond Analysis of the Crystal Growth of KDP`and ADP.  A.Meystrey and M. Vol. 1986. Figure 3.1 January 2006.C. Academic. Vol. Vol. New Delhi. Ed. “Phase Conjugate Optics”.F Warren.J. Electronic Materials. Pure and doped ADP crystals crystallize in the same tetragonal crystal system and the calculated lattice parameters of doped ADP crystals deviates slightly from the lattice parameters of pure ADP. pp. The hardness of the ADP crystal is higher than L-alanine doped ADP and L-arginine doped LA ADP crystals.Ramasamy.45. “Growth and Characterizatio of L-alanine Doped KDP Crystals.” Crystal Research and Technology. The hardness value of pure ADP and LA doped ADP and L-arginine doped LA ADP crystals were found to decrease with the applied loads.J. Orlando.1. 1990. R.040 J.Electrical Conductivity Measurements on ADP Single Crystals Added with Single Organic Compounds. This is because of the incorporation of the L-alanine (+NH3COO-) ions into superficial crystal lattice and forming defect centers which generate weak lattice stresses on the surface. “Recent trends in Crystal Growth”. Organic Chemistry. 31 Octobr 2009. No.Ramasamy and P.2008.018  M.  P. 5. 50g.43.Martinez and W. Prentice Hall of India. Kumbakonam.doi:10. Berlin 1991.Meena and C.Dave. Vol. Wiley. doi:10. In: D. D. SanthanaRaghavan.” Design and Synthesis of Organic Molecular Compounds for Efficiency Second Harmonic Generation”.Lan.Ramasamy.M. 2.200711064  K. “ Bulletin of Material Science. 1992. p235.R. Vicker’s hardness measurement of pure ADP and L-alanine doped ADP and L-arginine doped LA ADP crystals was taken by varying applied loads 25g..Santhana Raghavan and P. Ramasamy and C.5010170508  P. “Elements of Quantum Optics”. Dielectric.Joshi. Conclusions Pure and L-alanine doped ADP and L-arginine doped LA ADP crystals were grown by solvent Evaporation Solution Growth Method. No.Sargent .Twieg. P. Materials Chemistry and Physics.D. “D. doi: 10. 15 August 2002.108-113. Muncheryan.D. Covina..apsusc. “Structural Distortion in Thiourea-Mixed ADP crystals. No.”Growth Kinetics of Ammonium and Potassium Dihydrogen Phosphate Crystals.63. “Applied Surface Science. The proceedings of the Fourth International SAMPLE Electronics Conference. “Nucleation Studies and Crystal Growth of (NH4)H2Po4 Doped with Thiourea in Supersaturated Aqueous Solutions”.Shen.Rajesh and P. NEW. Crystal Growth and Process.Mullin and A.051  A.Santhana Raghavan.” Journal of Crystal Growth. London.2009. Nicoud and R. pp. No. J. “New Development in Semiorganic Nonlinear Optical Crystals”. 1(3). May 1967..  P. Parikh. “Lasers and Opto -Electronics Devices”. Thermal.K.Zyss Ed.1016/j.1-8.  Bhupindar Mehta and Manju Mehta. The increasing doping level in the ADP crystal improves optical transparency and also improves the sharp cut-off.F.Parekh.09. B. 2002.J. 1. 603. 4. P.P Rajesh. 395-397 Research Paper Pushpa et al _______________________________________________________________________________________________ Hardness test is useful to find the mechanical hardness of the crystal and to estimate the threshold mechanical stress. pp.Ramasamy. The values of the dielectric constant and dielectric loss decrease with frequency. and M. New York 1991  Y.  D.. 15 November 2006.26.01. FTIR Spectroscopy of the pure and doped ADP crystals confirms qualitatively the expected inclusion of the L-alanine and L-arginine in the pure ADP. 2005.2005. 4.  J.1016/j.2. No. Pinsa 68.Kannan.J.151-156.doi:10.Xue.415-418.B. pp.22602262.matlet. Hemisphere Pub.1002/crat.”Growth and Electrical Characterization of L-arginine Added KDP and ADP Single Crystals. New York 1984  P.253. McGraw Hill.1016/j.Annie Assencia and C. Vol. doi:10.2006. 5.” Crystal Research and Technology.Xu and D. 2.Amatavivadhana.W.  P. Wischmann. Mechanical. Vol. “Crystal Growth Processes and Methods”. 2005.181-186.1021/cg04959y .pp.E. N.L. KRU Publications.Santhana Raghavan.Jayarama and S.doi:10. 2012.1021/cg04 9594y.166-172. Vol. 1991.07.No.pp.L. pp.388-396. “A Study on Optical. Piezoelectric and NLO Properties of Unidirectional Ammonium Chloride Added Ammonium Dihydrogen Phosphate Crystal. Nonlinear Optical Properties if Organic Molecules and Crystals. No. Dharmaprakash.28.F.  J.2010. june 12-14.944949.Mahadevan. pp. “ The Principles of the Nonlinear Optics”.  L.doi:10. INN.New York. V. No.286.76.Co.S Chemla and J. In R. 75g.W.M. 1999.”Materials Letters. Allerd. The result is comparable with reported values References  H.. Springe-Verlag . pp.
in that it comes closest among the naturally occurring steroid hormones to represent the completely saturated fundamental steroid nucleus . 1 Abstract: The compounds of different tartrates find their applications in medical and pharmaceutical fields. and optical data storage.(1-Allyl-1-pyrrolidinio) -16. The basic steroid nucleus is given along with standard numbering and ring designation. Thanjavur-7.46) GV6: 3β . Good quality crystals are obtained within a period of 20 days. are reviewed by Fieser & Fieser (1959). Keywords: tartrate. K 2 2 Kunthavai Naachiyar Govt. Materials with excellent non linearities are studied for their applications in telecommunication. 1971a). 398-406 Research Paper ISSN:2277-4459 A COMPARATIVE STUDY ON THE STRUCTURES OF ANDROST-5-ENE DERIVATIVES Vasuki.(2pyridylmethylene) androst -5-en-17 β -ol bromide hemihydrate 398 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . 1976).. Mn doped. The grown crystals have wide optical transparency in the visible region. GV4: 17-Oxo-16-(2-pyridylmethylene)-androst-5en-3β -ol monohydrate GV5: 3β . however. Its isolation in 1931 by Butenandt. gel. Crystal Growth and Thin Film Laboratory. FTIR. Substituents lying in the plane of the steroid nucleus are equatorial. which is the desired property of NLO materials. India. configuration and conformation. 1(4). the one emanating from the nucleus on the same side as C18 and C19 methyl is designated as -oriented. INN. UV. The functions and activities of steroids are determined by their compositions. Bharathidhasan University. Introduction Steroid molecules are characterized by a basic carbon skeleton or nucleus consisting of three six-membered rings and one five-membered ring (Duax et al. Arts College(w)( Autonomous). Androsterone was the first steroid with male sex hormone activity to be discovered. G1 and Ramamurthi. The androsterone molecule is of structural interest. 2012.. NEW. The effect of doping manganese on these crystals are studied from FTIR and UV spectrum. Calcium Tartrate 1. School of Physics. The good quality crystals of different tartrates are grown by single diffusion gel method.INT. whereas the one on the opposite side is said to be oriented . whereas those extending away from the central plane are axial substituents (Weeks et al. by which it is far surpassed in androgenic activity. optical computing.17β -Diacetoxy-16-(3-pyridylmethylene)androst-5-ene monohydrate GV7: 3β . The nomenclature for steroids has been completely systematized by IUPAC-IUB (1972) conventions. constitution.17β -Diacetoxy-16-(2-pyridylmethylene)androst-5-ene hydrate (1/0. J.. Of the two possible substituent on any of the given carbon atom in the steroid nucleus. Androsterone is actually a metabolic product derived from testosterone. and other aspects of early research in this area. Tiruchirappalli-24.
1(4). 14αhalf-chair conformation in GV4. (1976)..6(6) (Molecule 1) & 12. which has caused the endocyclic angles C5-C6-C7 and C6-C5-C10 to deviate from their normal value of 120.. GV6 and GV7) with those of other closely related androst-5-ene derivatives reported in the literature. O17i 2.. Comparison Of Ring Conformations The conformations of rings in GV4. (1976) the reason for the deviations in the valency angles of C8-C14-C15 and C14-C13-C17 from their normal value of 109 may be due to the severe strain in the fusion of the five..and six-membered rings at C13-C14 bond. Andrade et al. 2012. 9half-chair conformation. 1975). which is the measure of the length of the steroid nucleus of GV4.. 2002). We observe from the Table 4 that the C2-C3. and both the B/C and C/D ring junctions have trans fusions. GV6 and GV7 are compared in Table 3. It is clear that the ring fusions are identical in these androst-5-ene derivatives ie. 398-406 Research Paper Vasuki et al _______________________________________________________________________________________________ A comparative study of the molecular geometry and the conformational parameters of the four androst-5-ene derivatives (GV4.17. They differ from each other by different substituent at C3 and C17 positions. (1976). GV5. the environment of atom C5 is planar. GV6 and GV7 are compared in Table 2. (1976). J. due to the presence of the double bond at C5=C6. We observe from the Table 2 that the pseudo-torsion angles in all the four cases are high and are comparable with the reported values of 10. C3-C4 and C5=C6 bond lengths are comparable with the reported values of the related structures and fall well within their respective average values reported by Duax et al.y.. 1994] and 10.2(5)(Molecule 2) [17 -Benzyl3. GV5. rings A and C adopt chair conformations only and depending on the substitutions at different positions rings B and D adopt different conformations like half-chair. 2001. 17-Epoxy-20-oxopregn-5-en-3-yl acetate: Andrade et al. GV5. Comparison Of The Molecular Geometry (i) The range of magnitude of bond lengths and endocyclic valency angles involving sp3 carbons in the six-membered rings of GV4-GV7 are given in Table 1. All the four structures of the androst-5-ene derivatives studied have essentially the same basic steroid skeleton with a pyridyl methylene at C16 position. In all the four compounds rings A and C adopt chair conformations and ring B adopt 8. The results obtained from X-ray crystallographic investigations on the molecular geometry and conformation of these compounds are presented and compared.833(3)Å N26i (i) (x-1. 2002 and Thamotharan et al. GV6 and GV7 are compared with that of the related structures. envelope.. C3-C4 (sp33 sp ) and C5=C6 (sp2-sp2) in GV4-GV7 are compared in Table 4 with the corresponding values of other closely related androst-5-ene structures available in the literature and with those of the corresponding average values reported by Duax et al. From the Table 6 we see that in all the compounds. the A/B ring junction has quasi-trans fusion. giving a quantitative measure of the twist about the length of the molecule and the C3…C16 distance. Caira et al. (1976). which deviate from their normal value of 109º. As has been observed by Duax et al. GV5. The ring D adopts 13β.907(3)Å 2. The C8-C14-C15 and C14-C13-C17 bond angles deviate by a maximum of two and three degrees respectively from their corresponding average values ( Duax et al. INN. 1995. From the Table 5 we observe C6=C5-C10 bond angle deviates by a maximum of one degree in GV6 from their corresponding average values. ZORTEP diagram of GV4 with 50% probability displacement ellipsoids 399 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .-dihydroxy-5-androstene: Stankovic et al. Bond lengths and bond angles involving sp3 carbons are observed to fall well within the average values reported by Duax et al. The length of the steroid nucleus is nearly the same in all the four structures (GV4GV7). 4.. (iv) The bond lengths of C2-C3 (sp3-sp3). 13β-envelope conformation in GV5 and GV6 and a distorted 14αenvelope conformation in GV7. Hema et al. These values are compared with the corresponding average values (averaged over nearly 15 androst-5-ene steroid structures) reported by Duax et al. are compared in Table 5 with the corresponding values of other closely related androst-5-ene derivatives available in the literature and with those of the corresponding average values reported by Duax et al.833(3)Å 2. GV5.z-1) Figure 1. 1976). C and D of GV4.. 2. NEW. (1976).INT. (v) The bond angles of C5=C6-C7 and C6=C5-C10. (iii)The puckering amplitudes of rings A. B. which deviate from their normal values of 120º and the angles of C8-C14-C15 and C14-C13-C17... GV6 and GV7 are compared with the conformations of other closely related androst-5-ene structures available in the literature (Table 6). In all the androst-5-ene derivatives.. C19-C10…C13-C18 (Duax and Norton. (ii) The pseudo-torsion angle.4(2) [16. 3. 2001].. distorted halfchair or distorted envelope.. Comparison Of Ring Fusion Ring fusions of GV4..
3(4)-115.8(4) 188.8.131.527(4) . J.1.555(4) 1.27Å Figure 3.39Å 130.8(3) GV7 7.1. GV6 and GV7 with the average values (Duax et al.77Å Figure 2.. 1976 Table 2: Comparison of the pseudo-torsion angle (º) and the length of the steroid nucleus (Å) of GV4. 398-406 Research Paper Vasuki et al _______________________________________________________________________________________________ 2.561(7) Bond Angle (º) 108. ZORTEP diagram of GV6 with 50% probability displacement ellipsoids 2.38(3)Å 129.53(4)Å Bri (i) x+0.557(6) 1.43Å 129. NEW.0(3) 107..1. ZORTEP diagram of GV7 with 50% probability displacement ellipsoids Table 1: Comparison of the magnitude of bond lengths and bond angles involving sp 3 carbons in GV4..573Å 2. INN.516(6) .7(3) 2.506(6) .7(2) 107.556(3) 1. 2012. 2001 Vasuki et al.. ZORTEP diagram of GV5 with 50% probability displacement ellipsoids 2. GV5.6(3)-114.2(5) .5(4) 400 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . 2002 Duax et al.No 1 Pseudo-torsion angle C19–C10…C13–C18 GV4 9.8(3)-115....4(1)-114.554(6) 1.7(2) GV5 10. GV5.5.0(4) 2. 2002a Vasuki et al.8(3) 108.3(3) Reference Vasuki et al.z Figure 4.114.INT. 1976) Compound GV4 GV5 GV6 GV7 Average values Bond length (Å) 1.y+0. Thamotharan et al.513(5) . GV6 and GV7 S.1.3(4) GV6 10. 2002b Vasuki.508(8) .3(4) 2. 1(4).
534(3) 0.569(3) 0. 1(4).544(4) 0.503(5) 0.557(4) 0.979(11) 8. 398-406 Research Paper Vasuki et al _______________________________________________________________________________________________ 2 Length of the steroid nucleus C3…C16 8.371(3) 0.914(7) Table 3: Comparison of the puckering amplitudes of rings A.074(6) 0.9(4) 8.530(3) 0.INT. GV6 and GV7 Ring q2(Å) q3(Å) Q(Å) (º) (º) Compound A 0.562(5) 9.485 (3) 0.9(6) 211.7(4) 50.378(3) 0.576(5) 6.462(3) 0. GV5.9(3) 7.549(4) 0.567(5) 0.3(3) 251(3) GV4 GV5 GV6 GV7 D 0.0(7) 217.085(4) 0.067(3) 0.314(3) 0.5(6) 191.103(5) 0.1(5) 177.926(1) 8.080(3) 0.9(4) 208.6(6) 10.7(3) 9..584(5) 0.071(4) 0.561(3) 0.3(4) 7.554 (6) 0.578(4) 0.498(5) 49.9(5) 210.7(4) 50.548(6) 0.9(6) GV4 GV5 GV6 GV7 401 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . NEW.4(4) 177. INN.6(1) 256(3) 267.087(5) 0.096(3) 0.9(5) 257.384(5) 0.464(5) 0.1(6) 50.1(5) 74(3) 101(4) 101(4) 84(3) GV4 GV5 GV6 GV7 B 0.387(5) 0.386(3) 0.0(4) 7.315(5) 0.5(7) GV4 GV5 GV6 GV7 C 0. B.451(5) - - - 198.324(5) 0. J.310(3) 0.919(3) 8. 2012.485(3) 0. C and D of GV4.556(5) 0.564(4) 0.
2009 Bunkoczi et al..333 2 2 Reference Li et al.500(3) 1.. (1992) Stankovic et al..327(4) 1.509(4) 1. (2002) Hewitt et al.512(7) 1.530(3) 1.322(7) 1.506(6) 1... (1989) Miljkovic et al.517(4) 1.512(4) 1.513(8) 1.329(4) 1. 2006 Thamotharan et al . Thamotharan 2002 et al.319(5) 1..327 1.524(7) 1. 2002a Vasuki et al.533(4) 1.520(7) 1.528(4) 1.508(8) 1. J.518(6) 1.507(4) 1.519(6) 1.507(7) 1.338(4) 1..508(5) 1.323(5) 1. Duax Numazawa & Osawa (1982) Swenson .518(10) 1.343(11) 1.318(5) 1.525(4) 1.No 1 2 3 4 5 6 7 8 9 10 11 12 C2-C3 3 3 sp -sp 1.306(6) 1. 2001 Vasuki et al. (1980) Vasuki et al.506(6) 1..332(4) 1.. 2012.527 1..509 C5=C6 sp =sp 1. 1(4). 2000 Bhacca et al. (1996) Miljkovic et al.520(7) 1. (2003) Hema et al.318(6) 1. 1976 402 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . 398-406 Research Paper Vasuki et al _______________________________________________________________________________________________ Table 4: Comparison of bond lengths(Å) of the present work with other closely related structures 3 S..514(3) 1.503(4) 1.515 15 16 17 18 19 20 21 1.512(3) 1.319(4) 1..322(6) 1.499(5) 1.531(6) 1.324(3) 1. 2004 Hema et al.521(8) 1. INN. (2002) Thamotharan et al.. (1983) Molecule 2 Swenson .499(3) 1.504(5) C3-C4 sp 3 sp 1.516 1.505(4) 1. Molecule 1 13 1.345 1. NEW.514 1.513(6) 1.323(4) 1. (1994) Kalman et al. (1987) Weeks et al.. Duax Osawa & Numazawa (1982) Swenson et al.331(6) 1...513(8) 1..491(4) 14 1.332(3) 1.525(4) 1..519(4) 1. 2002b Vasuki.490(10) 1.513(5) 1.493 1.317(3) 1..323(5) Average values Duax et al..INT.
6(4) 100.3 99.4(10) 124.0(3) 100..4 121. Duax Numazawa & Osawa (1982) Swenson .5(2) 118.3(2) 123. (1989) Miljkovic et al.4 98.4(6) 121.7(2) 124. 2006 Thamotharan et al .6(1) 3 Reference Li et al.6(2) 125..7 123.8 121.8 100.4(2) 122.3 102.6 119.2(2) 119.7(2) 120.9(9) 120.0(5) 122. 1978 Vasuki et al. (1980) Ferguson et al.4(2) 100.8(7) 122.6(2) 119.1(2) 123.4(7) 118..0(5) 118.2(4) 118.5(6) 100...7(4) 124.9(7) 126.2 125.9(4) 123. 2009 Bunkoczi et al.0(3) 124..7(4) 124.0(3) 102.2(9) C14-C13-C17 sp 3 3 sp -sp 100.6(4) 124. (1987) Weeks et al.7 118..9 124...27(19) 100.2 121.2(4) C8-C14-C15 2 2 3 sp =sp -sp 119.9(2) 125.3(2) 100.5(2) 98.7(2) 121..1(3) 110.5(2) 123. 2001 Vasuki et al. 2004 Hema et al.5(3) 123.9(3) 122.4(2) 125. 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 C5=C6-C7 2 2 3 sp =sp -sp 125.. (1992) Stankovic et al.0(3) 119. J...86(19) 119. (2003) Hema et al. (1983) Molecule 1 -Molecule 2 Swenson .1 125. Duax Osawa & Numazawa (1982) Swenson et al.0(2) 125. (1994) Kalman et al.3(4) 123. 2002b Vasuki.5(3) 98.5(2) 123..4(3) 125.45(18) 99.1(2) 125.2(3) 119.0(3) 124.INT..2(4) 123.6(3) 99.7(3) 121.5(7) 122.28(19) 100.1(2) 124.. 2012.6(2) 121..7(3) 98.9(2) 122.8(2) 119.4(8) 125. 398-406 Research Paper Vasuki et al _______________________________________________________________________________________________ Table 5: Comparison of bond angles (°) of the present work with other closely related structures S.9(4) C6=C5-C10 2 2 3 sp =sp -sp 122. (1980) Swenson et al.8(2) 99. (2002) Thamotharan et al. INN.No.2(2) 122.1(2) 119.4(2) 99.2(9) 122.8(2) 100.4 118.0(3) 124.5 125.9(2) 124.2(2) 98..4(6) 99.4(8) 101. 2002a Vasuki et al.. (1996) Miljkovic et al.4(2) 119.. NEW... Thamotharan et al. (2002) Hewitt et al. (1976) 403 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .0(4) 123. 2000 Bhacca et al. 2002 Average values Duax et al.6 122. 1(4).4(6) 125.7(4) 124.8(2) 123.
.INT... (2000) Bhacca et al. (2006) Thamotharan et al..benzylidene]-17oxoandrost-5-en-3-ol 16-(4-Cyanobenzylidene)-17-oxoandrost-5-en-3-ol 16-(4-Cyanobenzylidene)-3pyrrolidino-androst-5-en-17-ol monohydrate 16-[3-Methoxy-4-(2-piperidin-1ylethoxy)benzylidene]-17oxoandrost-5-en-3-ylacetate monohydrate A steroidal phenyldihydro-1.. 1(4). J.. GV6 and GV7 with closely related androst-5-ene structures S. (1996) Miljkovic et al. (2002) Hewitt et al. GV5.. (2004) Hema et al. 398-406 Research Paper Vasuki et al _______________________________________________________________________________________________ Table 6: Comparison of the ring conformations in GV4. (1994) Kalman et al. (2003) Hema et al.No... Compound Name A 1 N-tert-butyl-3-hydroxy-5androstene-17-carboxyamide monohydrate 17-Oxo-13androst-5-en-3-yl acetate 16-[4-(3-Chloropropoxy)-3methoxy... INN. 2012.3oxazine derivative Chair B Flattened chair Conformations C Chair D Envelope Li et al.17 -diol Monohydrate Chair Half-chair Chair 9 Chair Half-chair Chair 13Envelope 13Envelope distorted towards twist chair 10 Chair Half-chair Chair Chair 11 Two isomeric 17-Picolinylidene Chair Transition between 9-Sofa & Half-chair Transition between 9-Sofa & Half-chair Chair Half-chair Stankovic et al. NEW. 2009 Reference 2 Chair Half-chair Chair Half-chair Bunkoczi et al. (1989) Chair Transition between Half-chair & Envelope 404 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .. 17-dihydroxy-5androstene 5-Androstene-3. ( 2002) Thamotharan et al. (1992) 3 Chair Half-chair Chair 14Envelope 4 Chair Half-chair Chair Half-chair 5 Chair Half-chair Chair 13Envelope 6 Chair Half-chair Chair Half-chair 7 Chair distorted half-chair Chair distorted halfchair 14Envelope 8 Dehydroepiandrosterone 17-Benzyl-3.
INT. Duax.. 2012..4-dimethyl androstan-5-en-3-one 16-Bromo-3-hydroxy-5Androsten-17-one methanol 3-Hydroxy-16-morpholino-5androsten-17-one 17-Iodoacetoxy-4. 398-406 Research Paper Vasuki et al _______________________________________________________________________________________________ Table 6 contd.17-Epoxy-3Acetoxy-5-Androstene 16-Bromo-3-hydroxy-5Androsten-17-one 17-Hydroxy-7-methyl-5androsten-3-one 3-Hydroxy-16-morpholino-5androsten-17-one 17-Iodoacetoxy-4. (1975) Swenson et al... INN.20-Epoxy-17-Picolyl Chair Chair Envelope Transition between Halfchair & Envelope 13-Envelope Miljkovic et al..Osawa & Numazawa (1982) Cox et al.. Numazawa & Osawa (1982) Swenson. NEW.... (1978) Duax et al. 1(4). (1987) Chair Chair 13 17-Phenyl-5-androstene-3. Duax. (1971a) Chair 13Envelope 14 Chair Chair 14Envelope 15 Chair Half-chair Chair 14Envelope 13Envelope 16 Chair Half-chair Chair 17 Chair Half-chair Chair 14-Envelope Distorted towards 13bEnvelope 14-Envelope 18 Chair Half-chair Chair 19 Chair Half-chair Chair 17 Chair Half-chair Chair 14-Envelope Distorted towards 13bEnvelope 14-Envelope 18 Chair Half-chair Chair 19 Chair Half-chair Chair 20 Chair Distorted Half-chair Chair Half-chair 21 Chair Half-chair Chair 13-Envelope 405 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . J.4-dimethyl androstan-5-en-3-one 16-Bromo-3-hydroxy-5Androsten-17-one methanol 3-p-Bromobenzoyloxyandrost-5en. (1981) Swenson et al.17diol-Cyclohexane Chair 17-Cyano-16. (1980) Ferguson et al. (1980) Ferguson et al. (1972) Weeks et al. (1978) Duax et al. (1975) Portheine et al..17-one 3-Chloro-5-androsten-17-ol Chair Weeks et al.. Transition between Envelope & HalfTransition chair between Envelope & HalfHalf-chair chair Intermedia te between Sofa & Half-chair Half-chair Chair 12 Isomeric 17. (1983) Molecule 1 Molecule 2 Swenson..
Duax. (2002). Marsh.. 17-Diacetoxy-16-(3pyridylmethylene)androst-5-ene monohydrate 3b-(1-Allyl-1-pyrrolidino)-16-(2pyridylmethylene)androst-5-en17-ol bromide hemihydrates Portheine and Romers. Acta Cryst. A. S. K. 2002b Vasuki. Kindjer. L. P.. P. (1983) Acta Cryst. W. R. G. Structure Perkin II. A.(2002a). D. & Mallinson. & Jindal. J. Acta Cryst. 10. Vasuki. 10. D. C. B48. E58. G. Dubey.. Duax. 2001 Vasuki et al. o727-o729. 491-495 11. Stankovic. (2002). L. & Wolfling. 19.. Parthasarathi. Parthasarathi.. A. R. 11. Thamotharan et al. D. (1971a) Acta Cryst.. (1980) Acta Cryst. (2001) Acta Cryst. (1996) J. S. Dubey. & Allinger. M. Midgley. Gasi. Hewitt. Duax. K. & Gasi. Caira.. o598-o599.. 312-314.. S. S. Crystallogr. E. NEW. Vasuki. B36... P. Jindal. S... 12. S. I. G.. J. 617-620. Crystal. 14. Ferguson.. A.. J.. Sheetal Guleria. 6.. Struct. & Norton. D. H. D. 8. Weeks. G. (1994).. Parthasarathi. Ramamurthi. Hema. o1224-o1226. R.. 7. Ramamurthi.. & Norton. E65. G. Zivanov-Stakic. Swenson. 6. Hema. M.. V. Ranju Gupta. (1995). J. A. Kalman. A. Atlas of Steroid Structures. Crystallogr. & Argay. C. L. Thamotharan. D. B.. W. (1994). 631-641. & Dubey. Stankovic. (2003). R. Medic-Mijacevic. C. 2002a Vasuki et al. L. & Osawa.... Dubey. Vasuki. Duax. Acta Cryst. o421-o422. E58. C. (2002b). M. P. Dubey. Bhacca. (1989). 17. M. C. Duax. 16.. L.. 312-314. 393-400. B27. 9. D. S. New York: John Wiley. C57. D. o355-o356.. C57. “Topics in Stereochemistry. (2000). D.. Struct. D. Acta Cryst. Y. 1062-1063. L. Jindal. J. E. Parthasarathi. S. Thamotharan.. P. C58. Miljkovic. Acta Cryst. C60. M. Parthasarathi. Miljkovic. & Vickery. 9 Ed. (2006). C59. J. C50. 3. N. Argay. V. & Courseille. Swenson. Martins. C50. & Jindal. L. L. A. Andrade.. M. Acta Cryst. 406 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . D. S. Comm. 18. B. & Courseille.. de Almeida. 2. Schneider.. V.. W. D. Comm.INT. Parthasarathi. Vladimirov.. D. (2001). D. & Rohrer. 398-406 Research Paper Vasuki et al _______________________________________________________________________________________________ Table 6 contd. P. Cooper. 531-538. (1982) Cryst. Acta Cryst.. V. P. 701-706. Acta Cryst. J. 43. Mkandawire. G. 8. Acta Cryst. J. Xun Li & Peng-Mian Huang... A. 17-Diacetoxy-16-(2pyridylmethy-lene)androst-5-ene hydrate(1 / 0. K. & Campos Neves. K. S. o5078-o5079. S. M.. Acta Cryst. L. Morais. Jindal. Szemeridi. Moreno. Chem. M. J. D. W. Szajli. N. S. C56. T.. K. Weeks. Schneider. Duax.. C.. o1-o3. Weeks. M. Numazawa. C39.. C. Acta Cryst. INN. J. C. M. M. G. Sheetal Guleria. K. Ribar. C58. C45. D.. Jiang-Sheng Li. (1987). G. Ramamurthi. L. Y. G. & Jindal. 2012. Paixao. Gasi. 25. V. Thamotharan. W. M. & Sygula. R. & Anthony Linden (2002). 20. 587-589.. 1(4).. C. Z. C. & Schneider. (1982) Cryst. B. Acta Cryst. o1507-o1508. V. Thamotharan. J. 483-487. (1978) J. (1992).. Osawa. 26... Strong. P.. Ranju Gupta. & Osawa. 1698-1701. Medic-Mijacevic. A. Soares. (1976). 1981-1983.. Sa e Melo. R. Tetrahedron. & Jindal. Vasuki.. & Numazawa. G. ('1970) Vasuki et al. Ramamurthi. B37. 21. 5. Parthasarathi. Chem. Wolfling. 727-729.. V. e363 ... M. D. Guillory.. S.. & Jindal. W. Cuesta-Seijo. V. M. W. Bunkoczi. 272-276. Fronczek. L. (2009). M. Gasi. P. D. 3-p-Bromobenzoyloxy-13androst-5-en-17-one 17-Oxo-16-(2-pyridylmethylene) androst-5-en-3-ol monohydrate 3.. New York: Plenum 7. 4. 5. 9. L. Dubey.. Acta Cryst. C. o75-o78. E62. R. R. P.. Swenson.. Acta Cryst. M. 13. S. & Anthony Linden (2004). Jim Simpson.. S. & Ribar. W.. F. M. M. 812-819. K. P.. C58. G. L. Eliel. & Chang. Miljkovic. R. Miljkovic. K... Stankovic. K. S. S.. Hajnal. (1975). 11. (1981).. J. Cox. D. D. S. Acta Cryst. Thamotharan. L. G. L.. J.e364. Xiao-Jun Li. Parthasarathi. 11... Numazawa. Y. 2002 22 Chair Half-chair Chair 14-Envelope 23 Chair Half-chair Chair Half-chair 24 Chair Half-chair Chair 13Envelope 25 Chair Half-chair Chair 13Envelope 26 Chair Half-chair Chair Distorted 14Envelope References 1..46) 3. & Whalley.. Vol. A. 15.
a process that might be adaptable to expensive mass production. The best known applications of photovoltaic cells for electrical power generation have been in space craft.1 m thick is grown.Ravichandran* Department of Physics. it is expensive to extract (from s and where it 407 occurs mostly in the form S0 2) and refine to the purity required for solar cells. on which a layer of Cu2S compound perhaps 0. Photovoltaic cells could be applicable to either small or large power plants. make generation in large stations the most economical method.INT. however. Surface morphology was studied with the use of Atomic Force Microscopy. Actual operating efficiencies are less than half this value. * Department of Physics. surface morphology. Keywords: Cadmium Sulphide. for which the silicon solar cell is the most highly developed type. Pudukottai 3 Department of Physics A.. 1(4).V.34eV. operating at room temperature. Several other kinds of photocells are in the laboratory stage of development. Poondi. U-V visible. and decrease fairly rapidly with increasing temperature.25 . 1.2 (a). prathii@rediffmail. The cost of energy storage and power conditioning equipment might.V. many improvement have been made in crystal growing and doping.com 2 1 Abstract: The focus of this paper is to study CdS thin films using the CBD method. efficiencies have been in the range of 3 to 16 per cent. The Optical band gap values of the deposited films were found to be between 2. navigational signals. water vapour and sunlight especially at elevated temperatures. Tiruchirappalli-620 001 Email id: pragakishore@gmail. CBD method. they are adapted to the weak energy flux of solar radiation. Solar cells have also been used to operate irrigation pumps. These cells can be made by deposition on long sheets of substrate. INN. 2012. The greater barrier to solar cell application lies in the costs of the cells. This silicon cell consists of a single crystal of silicon into which a doping material is diffused to form a semiconductor. The results revealed that the deposited films are crystalline in nature with hexagonal structure. free electrical charges are generated that can be collected on contacts applied to the surfaces of the semiconductors. since they function well on a small scale. National College (Autonomous). optoelectronic devices etc.T. Cells made from the ribbon have so far shown efficiencies of around 8 percent.358 KW/m2). Sri Pushpam college. So far. Tiruchirappalli -621213 Department of Physics. K. rail road crossing INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Though silicon is one of the earth's most abundant. and may be adaptable to local energy generation on building roofs tops (Fig. 407-410 Research Paper ISSN:2277-4459 FABRICATION OF CdS THIN FILM PREPARED BY CBD METHOD G. SEM. and operating at 280C. Mount Zion college of Engg & Tech. One very promising method is being developed to produce continuous thin ribbons of single crystal silicon to reduce fabrication costs.M. and these cells have been less durable than silicon cells owing to degradation with exposure to oxygen. electrical cells have been manufactured with areas 2 x 2 cm. As photons are received.Srinivas2. efficiencies approaching 10 per cent. Cadmium sulfide and CdS/Cu2S cells are other possibilities. Because solar cells are not heat engines. highway emergency cell systems. 1. The active part of the CdS cell is a thin polycrystalline layer of CdS about 10 m thick.2 CdS Thin Film Layers In Solar Cells For terrestrial application silicon solar cells have shown operating efficiencies of about 12 to 15 percent. CdS films were deposited on glass substrates by Chemical Bath Deposition method with different S/Cd ratio 1:1.2. Mahalakshmi Engineering college. A. Reducing the cost of silicon cells is difficult because of the cost of making single crystal. Introduction Photovoltaic cells are made of semiconductors that generate electricity when they absorb light. J. 1.Ravichandran 3. 5:1 and 7:1 and their surface and optical properties as a function of S/Cd ratio were studied in detail. J.Pragadeeswari1. solar cells.com. Since the early days of solar cell development. NEW. 3:1. The efficiency is the power developed per unit area of array divided by the solar flux in the space (1. materials. and therefore do not need to operate at high temperatures. This study may be useful for the fabrication of good quality CdS films for several applications like solar cells. These devices have theoretical efficiencies of the order of 25%.
which has proven to yield very thin. Region containing a drift field for charge separation.INT. The photons have to be absorbed in the active part of the material and result in electrons being excited to higher energy potential. The charge carriers must be removed from the cell and delivered to a useful load before they lose their extra potential. and [c]. 13]. It is a low temperature. 3. Inside a Photovoltaic Cell Transpar ent negative terminal Gl as n-type s layer Jun Fig 1. The electric field in most solar cells is provided by a junction of materials which have different electrical properties. but pinhole free films of CdS. films with good optical characteristics suitable for window material in CdTe solar cells were fabricated. 407-410 Research Paper Pragadeeswari et al ____________________________________________________________________________________________ warnings automatic materogical stations etc. Such as CdS/CdTe etc play main role in solar energy conversion. chemical bath deposition (CBD) method (Fig 3. Experimental Procedure Though various deposition techniques such as electro deposition . The top layer.3 PHOTOVOLTAIC SYSTEM n ) (Semico nductor) Electr on Flow (curre nt) Freed Electron s Holes filled by Freed Electrons A PV (Photovoltaic) system consists of: Solar cell array Load leveler Storage system Tracking system (where necessary) 1. To obtain a useful power output from photon interaction in a semiconductor three processes are required.Principles The photo voltaic effect can be observed in nature in a variety of materials. screen printing  sputtering . there must be an electric field to induce these higher energy electrons to flow out of the semi-conductor to do useful work. In this work. but the material that have shown the best performance in sunlight are the semiconductors as stated above. J. INN. For completing the above processes a solar cell consists of: [a]. usually p-type. Due to the simplicity and the very economical experimental facilities needed in the film that have optimal features for photovoltaic devices applications . Polycrystalline thin-film cells have a hetero junction structure. The electron . low cost and scaleable technique. 1. 2012. 2.hole charge carrier created by the absorption must be physically separated and moved to the edge of the cell. [b]. 1(3). NEW. 1. 408 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .2(semico (a) Solar Energy Conversion p-type ctio nductor layer 1. which have been used in the fabrication of CdTe/CdS solar cells having 15. usually n-type. spray pyrolysis  have been reported.8% efficiency . in location where access to utility power lines is difficult. When photons from the son are absorbed in a semiconductor. Fig shows the experimental set up of Chemical Bath Deposition. in which the top layer is made of a different semiconductor material than the bottom semiconductor layer. Semi-conductor in which electron hole pairs are created by absorption of incident solar radiation. they created. An ohmic contact is often used to provide a good electrical connection to the substrate..4 Solar Energy Conversion The solar energy conversion is shown in the polycrystalline thin films. is a window that allows almost all the light through to the absorbing layer. 2. Charge collecting front and back electrodes.1) has attracted much attention since it is confirmed as a simple and promising technique to obtain device quality film [12.3 Solar Cell .
5:1 and 7:1.INT. a. 409 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . 4. The adhesive nature was tested with peel test using tapes. 407-410 Research Paper Pragadeeswari et al ____________________________________________________________________________________________ Therm ometer Cov er Tefl on Hol der Chemi cal Bath @ Substr 800C ate The thicknesses of the deposited CdS films were estimated using the weight gain methods which are in the range 151 nm to 342 nm. 2012. films with good transmission and wide band gap values were fabricated on glass substrates by using Chemical Bath Deposition (CBD) technique. INN. 1(3). Surface Morphology The Atomic Force Microscope images of the deposited films are in Fig the images show that the films are uniform and smooth.2 and Fig 5.3) of the films in the UV-Vis and NIR region are recorded using UV-Vis-NIR double beam spectrophotometer. The deposition parameters employed in these fabrications Thickness Measurement Magne tic Stir bar Tempe Rotati rature on Contro Magne Speed tic l DiscussionContro Results And Stirrer(CdS) Cadmium Sulphide l thin 5 0 1 0 0 Optical Studies The absorption and transmittances (Fig 5.. J. The average transmittance values of the coated films are in the range 60 to 75% in the visible range b. All the deposited films have good adhesion with the substrates. 3:1. Different sets of films were prepared by keeping the S/Cd ratio 1:1. NEW.
Int. Proc. Dhere. P. 407-410 Research Paper Pragadeeswari et al ____________________________________________________________________________________________ Table :Optical band gap for CdS films S/Cd Ratio 1:1 3:1 5:1 7:1 5.A. C. J. 62 (1993) 285. Chu.Asher.34 eV. J. .26 October 2001). Solid State electron 38 (1994) 533. 2012. X.Sheldon. T. J. T. Phys. The results revealed that the deposited films are crystalline in nature with hexagonal structure. S. 1(3).INT. R.C. Energy 12 (1992) 121.34 2. . Surface 410 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . 17th European photovoltaic solar energy conf.H. C. Conclusion CdS films were deposited on glass substrates by Chemical Bath Deposition method with different S/Cd ratio 1:1.Levi. J. Chu. Britt. D. Sol. Chu. J.S. INN.25 . S.32 2.Wu.L. T.30 2. References .Henry.2.Appl.25 morphology is studied with the use of Atomic Force Microscope.G. C.S. 3:1. optoelectronic devices etc. Chu. A. Optical Band Gap (Eg) 2. Phys.L.Ferekides.. Appl. 995. Germany 22 . This study may be useful for the fabrication of good quality CdS films for several applications like solar cells. Keane. NEW. 5:1 and 7:1 and their surface and optical properties as a function of S/Cd ratio were studied in detail. Lett. S.H. 51 ( 1980) 4494. (munich. Gessert. 2001 p.Dehart.Duda. The Optical band gap values of the deposited films were found to be between 2. . .
The present work focusses on the acoustical and spectral studies on binary mixtures of sesame oil with ketones. This may cause the breaking of disperse interactions in the solvents and create more structured packing of molecules. The values of isentropic compressibility. Based on the fundamental parameters namely. Isentropic compressibility. As the mole fraction of ketones is increased. a decrease in ultrasonic velocity and density is observed. Keywords: Sesame oil. 411-412 Research Paper ISSN:2277-4459 FTIR STUDY OF BINARY MIXTURES OF KETONES WITH SESAME OIL Suhashini Ernest1. is where Ks1 and Ks2 are the isentropic compressibility of organic solvents and oil in the mixture. 1(4). The minimum value for the excess isentropic compressibility occurs at 0. The negative values may be attributed to the effects of dispersion and dipolar interactions between unlike molecules. Kavitha. The excess isentropic compressibility values are negative throughout the entire concentration range. P2 and Santhakumari3 2 Department of Physics. Urumu Dhanalakhimi College. The negative ΔKs values indicate the presence of strong interactions in the liquid mixtures5. Density measurements are made with Shimadzu make (AX 200) digital balance of accuracy 0. Introduction Ultrasonic investigation of liquid mixtures consisting of polar and non-polar components is gaining more interest in recent times. namely methyl ethyl ketone (MEK). 3.75 mole fraction of solvent. INN. the velocity and the density. methyl ethyl ketone. molecular radius and molar surface area and excess isentropic compressibility are also shown in Table 1. The molecular radius is given by the relation. Urumu Dhanalakhimi College. Trichy. Deviation in isentropic compressibility 1. The shifts in the frequencies observed are used to interpret the molecular interactions existing in the mixtures. Experimental Procedure Ultrasonic velocity of pure liquids and liquid mixtures has been measured using an ultrasonic interferometer (F80 Mittal Enterprises. (Table1). J. India 1 Abstract: FTIR spectra of the pure components and the ketones + oil mixtures are taken.9%. Molecular radius. supporting the close packing of the molecules in the mixture. NEW. 2012. India Department of Physics. the thermodynamic parameters throw light molecular interactions and the structural variations are evaluated1-3. The binary mixtures are prepared by mixing the measured volumes of the components in airtight glass stopper bottles to minimize the evaporation of volatile liquids.15K is measured experimentally and tabulated. 4. Measurement of speed of sound in liquids helps to understand the molecular interactions existing between the components in the mixtures.01 K using constant temperature bath (RAAGA make). But the magnitude of r increases with the increase in the carbon of the liquid 411 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . The results are found to be in agreement with the acoustical parameters evaluated using the densities and ultrasonic velocities of mixtures measured at different concentrations. as it is considered as one of the important tool to reveal the physical properties that help in understanding the behavior of liquid mixtures.INT. The diminishing ultrasonic velocities tend to increase the isentropic compressibility of the liquid mixture. New Delhi) of frequency 2MHz (Accuracy ± 0. Where b is the van der Waal’s constant and N is the Avagadro’s number. Organic solvents. diethyl ketone and methyl isobutyl ketone are purchased from Merck of AR grade and minimum assay of 99. 2. diethyl ketone (DEK) and methyl isobutyl ketone (MIBK). The study of mixtures of vegetable oils and solvents are very important for oil refineries and food technology. Trichy. The deviation in isentropic compressibility given by the equation. 1 m/s). Indra Ganesan College of Engineering. Theory The isentropic compressibility mixture is given by the relation. The temperature of the pure liquids and binary mixtures is maintained to an accuracy of ± 0. Ketones. Result and Discussion The ultrasonic velocity for the binary mixture of sesame seed oil and ketones for the entire range of concentration at 298. The perusal of Table 1 depicts that the molecular radius(r) diminishes as the solvent concentration is increased in the binary mixture.0001 g/cc. Trichy.. India 3 Department of Physics.
52(2000)21. C.31 542. Significance of Ultrasonics in food industry-an overview. high intensity and relative freedom from interfering bands make this one of the easiest bands to recognize in IR spectra (Table 2).92 3.35 525. W. J.65 521.74 2.56 611. edn.39 MEK -16.17 794. a strong C=O stetching absorption band in the region of 1730 cm-1..95 672.50 -181. Table 1. NEW.70 0. 2926 2926 2932 1744 1741 1736 1364 1364 1364 720 719 720 412 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .87 535.32 -197.45 0.74 542.67 -107.13 -34. Name of the sample Methyl ethyl ketone Diethyl ketone Methyl isobutyl ketone Methyl ethyl ketone+oil Diethyl ketone +oil Methyl isobutyl ketone+oil C-H stretch 2977 2982 2959 Carbonyl C=O stretch 1734 1733 1726 CH3 of CH3CO 1366 1363 1367 Out of plane vibrations 587 618 590 5. Indian Dairyman. The CH3 band of CH3CO has the absorption peak at about 1360 cm-1 for all ketones.03 -69.27 644. Indian Journal of Pure and Applied Physics.31 533. Butterworths.43 522.72 -157.55 2. Ganesh Kumar.35 4.28 4.91 2.05 0. References 1. and Bates. 3.55 0. and Prakash. pp. Hobbs.67 3.10 554.73 568..75 550.51 3.23 -159. 11.. 74. 1977.52 548. S. 1982.99 786.68 630.65 0.84 557.75 -96. and Kohli.29 609. 5.39 672. Liquid and Liquid Mixtures.67 520.33 -142.53 517.55 -62. O. R...54 -210.90 -155.49 4.96 -46.15 -150.19 4.85 -29.32 -183.49 4. 3rd. M. Values of ultrasonic velocity.39 3. 3. London .33 518. W.66 2.21 -135.12 546.74 -127.10 -40. 2012. and Benson.73 3.30 MIBK 4. (1979)..61 -42.95 0.45 -93. 1952. B.83 -49.12 4.53 536.41 -138.80 MIBK 518.02 -160. INN..27 542. This results in the increase of isentropic compressibility. Singh. K.15 0.53 3.42 4..10 0. 4.27 4.16 614.33 -170.29 524.09 -162.41 723.49 4.INT.07 2.64 3.E.. 2.95 3.40 0. 411-412 Research Paper Suhashini et al _______________________________________________________________________________________________ chain length of ketones indicating that the interaction decreases with the size of the ketones. Its relatively constant position.95 -51.86 3..01 3.52 -140.39 -180.51 529.03 -159.44 558. when compared with that of pure solvents. Prasad.C J.43 -175.20 3.60 2. G.98 u (m/s) MEK 1454 1453 1450 1448 1447 1445 1440 1436 1432 1427 1424 1423 1416 1403 1395 1378 1363 1341 1282 1223 DEK 1453 1452 1448 1445 1444 1440 1435 1432 1425 1420 1418 1411 1400 1388 1376 1360 1344 1312 1280 1240 MIBK 1452 1449 1445 1443 1440 1436 1434 1426 1422 1419 1410 1402 1388 1377 1362 1345 1310 1280 1231 1220 MEK 516.V.79 -132. Singh.55 -149.42 826.59 632.77 -81.83 529.56 3.74 -122.89 MEK 4.35 -108.60 0.18 814.42 4. isentropic compressibility.01 2.84 3.28 -212.99 -113.65 547.01 580.42 3.84 KsE (TPa-1) DEK -13.41 4.75 -72.23 -98.45 2.35 4. excess isentropic compressibility and molecular radius for binary mixtures of sesame oil with ketones at 298.48 716. 156. 1(4).15 -130. Journal of American Chemical Society.54 -116.84 -199.83 3.77 525. 16-17.91 567.33 545.82 -30.75 0. Dhamendra.26 3. In the IR spectra of Ketones.62 3.97 2.20 4.45 3.18 -55.28 523.15 K X1 0.12 2.36 2. and Swinton F L.18 4.26 -211.28 532.85 0.73 -127.69 -77.33 3.77 595.861.34 -155.25 0.29 3.50 0.35 -83.62 -155.77 3.80 2. Kiyohara.27 4.15 526.78 593. 6.85 2.03 3.94 -58.11 4.10 4.83 533.04 3.16 3.01 521. N.44 550.Thermodyn.80 0.42 Table 2 IR spectral details for Sesame oil.81 722.88 -203.93 3. ketones and oil+ketones mixtures.59 -186. Rowlison J S.69 537.75 -65.98 -93. R.55 -170.15 580.20 0.35 0..90 524.75 3.77 567.S.90 0.20 r (x 10-9 m) DEK 4.26 576. thereby decreasing the ultrasonic velocity and density..746.13 Ks (TPa-1) DEK 517.34 MIBK -15.34 4. the absorption band is shifted approximately 10 cm-1.73 529. Conclusion The addition of ketones to sesame oil causes the breaking of disperse interactions and help to create a better packing clusters.30 0. When ketones are mixed with sesame oil. Chem .35 593.
D. The grown crystals were subjected to Powder X Ray diffraction studies.INT. high response and high optical thresholds for laser power as compared with inorganic materials. S.Pari3. Srinivasan College of Arts and Science. 3. good quality single crystals of pure and doped ADP were grown successfully. This anti ferroelectric is below 148. Abstract: Single crystals of pure and L-Leucine doped ADP were grown from aqueous solution employing slow evaporation process at room temperature. Tiruchirappalli. thermal dielectric and mechanical behaviors. Reasonable studies have been on the growth and properties of pure ADP. Department of Physics. Thus two solutions. L-Leucine. Powder XRD. Growth and studies of ADP is a centre of attention to research because of its unique properties and wide applications Single crystals of ADP are used for frequency doubling and frequency tripling of laser systems. 3. optical switches on inertial confinement fusion and acoustic-optical devices. A certain amount of L-Leucine which is calculated was dissolved in the deionised water for 2 mol % of the mother solvent. Organic non linear optical materials have large optical susceptibilities. ADP pure and L-Leucine doped ADP were made.electric. Introduction ADP (NH4H2PO4) is a representative of hydrogen bonded materials that possess excellent dielectric. The grown crystals seeds were harvested after a period of 15 days for pure ADP and after 20 days for L-Leucine doped ADP respectively. It was made to stir for 4hrs using magnetic stirrer and filtered using Whatman filter paper.1 Powder X Ray Diffraction (XRD) The powder X-Ray diffraction study was conducted to verify the single phase nature of the sample. The preffered orientation peaks of pure and L-Leucine doped ADP crystals are (200) (202) and (220). There are slight shifts in the diffracted peaks in the XRD pattern of L-Leucine added ADP crystals when compared to that of ADP. ADP is an isomorphous series of phosphates and arsenates that presents a strong Piezo. UV-Vis-NIR spectral analysis. This was carried out for the pure ADP and 2 mol % of L-Leucine doped ADP. optoelectric and non linear optical properties.Ravichandran3 1. Results and Discussions 3. Amino acids are interesting materials for NLO applications as they contain a proton donor carboxyl acid (-COOH) group and proton acceptor amino (-NH2) group in them. National College (Autonomous). The solution is filtered and transferred to another beaker. FTIR spectral analysis. NEW. S. FTIR. Experimental Details ADP (NH4H2PO4) and L-Leucine along with the deionised water were used for the growth of single crystals. Perambalur.C electrical conductivity and Vicker’s micro hardness studies and the results were discussed. The solution is filtered and transferred to another beaker. J.5 K. 413-415 Research Paper ISSN:2277-4459 GROWTH AND CHARACTERISATION OF ADP & L-LEUCINE AMINO ACID DOPED ADP A. ADP is added further to the already dissolved L-Leucine solution till its saturation point. inorganic and semi organic impurities. UV-Vis NIR. 2. A. It was porously sealed and placed in a dust free environment for slow evaporation. Shivani Engineering College. INTERNATIONAL JOURNAL OF NEW INNOVATIONS . In recent years efforts have been taken to improve the quality rate and properties of ADP by employing new growth technique and also by addition of organic. 2. It was porously sealed and placed in a dust free environment for slow 413 evaporation.. After a time span of 10 days. ADP was dissolved in deionised water for 200ml and made to stir for 3hrs using magnetic stirrer and filtered using Whatman filter paper. Keywords: ADP. anti ferroelectric. The sharp peaks indicate the crystallinity of the grown crystals. Tiruchirappalli. INN. Balamurugan2. Robert Xavier1. Piezo. Tiny crystals with good transparency and well defined shape were selected as seeds and they were tied up to grow as big crystals. It is well known that a very little amount of additives can strongly suppress the metal ion impurities and promote the crystal quality. 2012.electric activity. Department of Physics. Department of Physics. 1(4). Amino acids when added as impurities have improved material properties. DC electrical conductivity and Micro hardness.T. 1. Oxalic acids and amino acids as additives in ADP crystals give appreciable change in optical.
and 100gms for indentation. The peaks at 553.SP 1801 4000.2 ADP+L-LEUCINE 3.05 2460.66 1603.80 1408.79 59. The observed results are in good agreement with the reported values.68 6.26 908.0 REF 4000 92.72 6.Leu ADP UV-Vis of pure and L-Leucine doped ADP . c=7. The peaks at 557.53 1603.75 32. Fig 1 ADP PURE Fig.62 3526.75 1408. Two opposite surfaces across the breadth of the crystals were made with good quality to get good ohmic contact.75 80 70 3783.37 10.17 40 2414. The spectra were recorded in the wavelength region form 190nm to 1100nm.Joseph's College ( Autonomous ) 1634.3 UV-Vis-NIR The optical transmission spectra of UV-Vis optical transmission spectra of pure and L-Leucine doped ADP crystals are shows in the figure 5 below.58 73.3 ADP PURE FTIR SPECTRUM Date: 2/27/2012 1000 400.63 1409.00 3.4526 Å. INN. 413-415 Research Paper Xavier et al _______________________________________________________________________________________________ ammonium at 1603. The hardness value of pure ADP and L-Leucine doped Adp crystals were found to decrease with the applied loads respectively. It is found that both of them have sufficient transmission in the entire Visible and near infrared region..37 910.00 %T 5 1.48cm-1 are due to PO4 vibrations.62 1104.0 90 3972.77 1634.sp 100. NEW.17 56.0 4000.72 1409.02 3216.5 Microhardness Hardness test is useful to find the mechanical hardness of then crystal and to estimate the threshold mechanical stress.4 Dielectric Studies The grown ADP and L-Leucine doped ADP crystals were subjected to Dielectric constant and dielectric loss.00 400.0 ADP-L-Len.31 482.66 908.80cm-1 and 471. The parameters are calculated as a=b=7.67 66.64 21.00 %T 12 1.37 1288.37 46.31 471.0 3000 2000 cm-1 1500 1000 400.Joseph's College ( Autonomous ) T richy-2 FT IR SPECT RUM Date: 2/27/2012 Spectrum Name: ADP Pure . There was a O-H vibrations of water at 3783.39 471.00 Fig. 50gms.11 2000 55.19 600 3783. P-O-H group and N-H vibrations of REF 4000 75.76cm-1 which includes O-H vibrations of water and N-H vibrations at 1643.31 58.00 414 INTERNATIONAL JOURNAL OF NEW INNOVATIONS 190 292 394 496 598 700 802 904 1006 The intensity of the diffracted peak (200) is found to vary in the XRD pattern of the L-Leucine added ADP crystals.42 4. ACIC St.00 32.00 400. Crystals of certain thickness were cut from parts of the crystals grown by solution.06 3187.67 70 60 3752. 80 60 40 20 0 ADP+L.64 10 3216. Vickers hardness measurement of pure ADP and L-Leucine doped ADP crystals was taken by applying loads 25gms.66 557.43 1288. The FTIR spectra of both crystals are shown in the diagram below for ADP pure and ADP doped L-Leucine respectively.47 1098.43 30 20 10 0.53 56.34 3861.93 600 90 3972.42 1289.4 ADP+L-LEUCINE The interaction between ADP and amino acid doped ADP try shifting the peak positions for O-H vibrations of water and P-O-H group.46 2689.87 3861.66 39.05 99.5203Å for L-Leucine added ADP respectively.5439 Å for pure ADP and a=b=7.58cm-1.32cm-1.56 83. 2012.39 48. In the spectrum of L-Leucine doped ADP crystal broad band appears at 3216.18 2414. This is because of the incorporation of the ions into superficial crystal lattice and forming defect centers which generate weak lattice stresses on the surface.64 553. These crystals are measured in the frequency range of 100Hz to 200 KHz. 3.46 92.31-1 and 482. However there are no such phase changes emerging besides the tetragonal system.76 3.89cm-1are due to the PO4 vibrations. c=7.37cm-1.32 ADP-L-~2.32 Trichy-2 553. 3.08 1289.81 2000 45. Thus these shifts in the position of P-O-H and PO4 vibrations compared to ADP established the presence of the additive L-Leucine in the lattice of ADP.INT.sp 100.56 Fig.68 0.2 crystals It shows that the percentage of optical transmission is decreased much with the addition of L-Leucine in the ADP crystal. 80 2689.51 1104. In this study the hardness of the ADP crystal is higher than that of L-Leucine doped ADP crystals.25 910. 3.0 ADPPUR~1.79 %T 50 2297.80 1098. J.68 2297.30 3187.80 3752.32 15.pk Spectrum Name: ADP-L-Len.48 30 20 3526.4833 Å. The hardness value is calculated.48 47.pk Fig.89 60 557.89 72.30 38.SP 3601 4000.81 4.34 82.51 41.81 4.0 4000.43 32.31 50 %T 40 2460. 1(3).58 482.2 FTIR The Fourier Transform Infrared Spectrum was recorded for powdered samples of pure and L-Leucine added ADP crystals. the above mentioned changes are due to the presence of additive L-Leucine into the lattice of the ADP crystals.76 ACIC St.0 3000 2000 cm-1 1500 ADP Pure .80 24.
7 R.Lawrence. Washington. p.Anbarasan.al cryst res technol 43. Ny 1970 T. The optical studies confirm the higher transmission in pure ADP than the L-Leucien doped ADP. Interpretation of X. T. Material Letters 63.Ramamurti. References 1.Lipson. Optical Materials 30. Applied surface science Vol:253.Dhanaraj and N.Rajesh et.phy 76. Electron. 5.1221 P. Mahadevan. 3(1):32-40 J. 15. Alexandru. Lattice parameters were calculated for the XRD characterization. 21.Rajesh. 944-949 P.369-371 Zheng Guo Zong et. J. 2001.V. 20. 151 P.aL-mater\ chem.Ananda Kumari.INT.Jr of pure and App phys 47. 14.. T.2010. 18-25 S. 1991. 43. J.2008.811816 415 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .1361 8.Mary Delphine. R. Indi. 11.2008.KrishnaPriya. 3. 9. H.JosephineRani.181-186 Ramesh and Mahadevanc 1998 Bull mat Sci 21. 18.Kumaresan. 116 Ferdousi Akthar.Rajesh.3(7):69-72 H.Marder B.Ramasamy.1991. M. P.2002.V. American Chemical society. 10.Jayaraman.Podder Cry Growth237. 13.287 Abdul kadar.Binay Kumar. Growth 310. J.P.bhagavannarayana.2009.70 N. Fernando Loretta.Physics 10.1971.Ray powder diff paterns. Material Chem Phy 112. K.Mater Sci Mter. J.K. S. N. 2008. 2. The di-electrical studies were done and the microhardness is also calculated and found that pure ADP has higher value than that of the doped one.Slevarajan. 5. Materials chemistry and physics Vol 112. Crystal research and technology. 19. 1. Bul on Mat Sci.Priya.Meena. 4. C. 1(3). 12. 4. 24.. Conclusion It is been found that that amino acid L-Leucine was successfully doped with ADP crystal and found that these additives can affect the nucleation of ADP from aqueous solutions.2009. 166-172 M.P. Mcmillan. 6.” Recent research in science and technology 2011. S.Padma. 16. G. 2008. 2.2260 P. Current App. Material for non-linear optics chemical perspectives.2008. 2. Jiban Podder.Moorthy Babu. 2011.280 A. INN.Crsytal growth 10. R.Rajesh.Timenn. NEW. 17.G.Dhanaraj.Aananthi. no:2. N. 2008. P. 511-514. 2. 2012.M.P.490 P. 490-495 M. J.V. 5th ed.Ramesh Babu. 413-415 Research Paper Xavier et al _______________________________________________________________________________________________ 7.Rajesh . C.R. P.Crysta Proces and Tech. Recent Research in Sci and Tech 2011.Crys.Uma Devi. P.Ramasamy. The FTIR spectrum shows that amino acid L-Leucine was entered into the ADP crystal.2002.Mary Freeda.M.
3. The presence of functional groups in LT is qualitatively analyzed.. 416 3. 2. Characterization 3. FTIR. According to the solubility data the solution was saturated at 40oC and seed crystals were formed due to spontaneous nucleation. INN. ranging from almost zero to greater than that of Potassium Dihydrogen phosphate (KDP) crystals. Single crystal of size 17 x 7 x 9 mm 3 was obtained in a period of about 25 days and the photograph of as grown crystal is shown in Figure 2. All the observed reflections were indexed and the lattice parameters are found to be a = 5.Daisy Auxilium1. National College (Autonomous). The solubility of LT in deionized water was assessed as a function of temperature in the range of 3055o C (figure 1).gives rise to a band at 703 cm-1. Photo of LT INTERNATIONAL JOURNAL OF NEW INNOVATIONS . with space group of P212121. 2012. NEW. Crystal Growth High-purity L-Threonine (99. using KBr pellet on BRUKKER IFS FT-IR Spectrometer. Organic nonlinear optical materials are receiving a great deal of attention. The grown crystals were subjected to different characterization studies such as XRD and FT–IR.9%) was used for the crystal growth experiments. J. 120 110 100 Solubility (g/100ml) 90 80 70 60 50 40 30 30 35 40 45 o 50 55 Temperature C Fig 1. The characteristic absorption at 1187 cm-1 is due to symmetric C-N stretching. Pari2 and J. Loyola College. The peak at 1567 cm-1 and 1366 cm-1 corresponds to the symmetric CO2.3.com 1 Abstract: In the present investigation large and highly optical quality single crystals of L-Threonine have been grown from aqueous solution by temperature lowering method. S. Chennai – 34 Department of Physics. Solubility curve of LT Fig 2.THREONINE (LT) CRYSTAL A.2 FTIR Analysis FT-IR spectrum of LT crystal was recorded in the range 400 cm-1 to 4000 cm-1. Since optically active substances always meet the symmetry requirements for optical SHG. SHG 1.684 Ao. The CC stretching vibrations is found by the peak at 927 cm-1. inherent ultra fast response times and high optical thresholds for laser power compared with inorganic materials . as they have large optical susceptibilities. The wagging of COO. Madhavan1 2 Department of Physics.779 Ao c = 13. 416-417 Research Paper ISSN:2277-4459 GROWTH AND CHARACTERIZATION OF L. S.INT. Optically clear and free from macro defect seed crystal was used for growth experiment. The FTIR Spectrum of LT crystal is shown in Figure 4.stretch. The Kurtz-powder SHG test confirmed the non-linearity of the grown crystal. Arulmozhi1.1 X.ray powder Diffraction Method Powder X-ray diffraction analysis was performed on LT crystal in the range of 10 – 60o and is shown in Figure. Introduction Many optically active amino acids show high efficient optical second-harmonic generation (SHG) and are promising candidates for laser and optical communication technology. Tiruchirappalli – 01 Corresponding Author: jmadhavang@yahoo.Threonine. The present study mainly focuses on the nature and effects of crystal lattices of LT crystals. Crystals capable of generating second harmonics must have a unit cell with no centre of inversion and this requirement is met by the crystals of pure amino acids because these molecules themselves are dissymmetric [1– 3]. XRD. 1(4). Keywords: L. b = 7. N-H stretching frequencies of amino group are found between 3184 and 2051 cm-1. The solubility of L-Threonine was found to be very high in water compared to pure organic and mixed solvents and hence deionized water was used as a solvent.148 Ao. there is considerable variation in efficiency for the generation of SHG.
Madhavan.stretching C–N stretching C–N stretching C–C stretching vibrations CO2. J. J. 2012. J. 1(2)( 2010) 1-7. Archives of Physics Research. 41(2006) 997. The SHG signal of 265 mW was obtained. and P. Conclusions A good crystal of L-Threonine was grown successfully by slow evaporation method of size 17 x 7 x 9 mm. .wagging vibrations CO2. (1968). Sujatha. P. Aruna .9 562. A. The generation of the second harmonic was confirmed by the emission of green light (532 nm).. Manivannan . Merline Shyla and J. P. Madhavan.8 1567. A. M. J.T. Cryst. Appl. units) (1 0 0) (0 2 0) (1 0 1) (0 0 3) (0 0 4) (0 1 3) (1 0 -4) (1 2 0) Two theeta (0 2 2) (1 2 2) (0 3 1) Fig 3. SHG efficiency of the grown crystals is found as 2 times greater than KDP. P. The conversion efficiency of the LT crystal is found to be 2 times that of standard potassium dihydrogen phosphate (KDP) crystal. Intensity (arb. .rocking 80 Transmittance (%) 60 40 20 0 4000 3500 3000 2500 2000 -1 1500 1000 500 Wavenumber (cm ) Fig 4.7 1187. 281(2008) 2989. X-ray Powder Diffraction of LT 100 Table 4. Optics Communications . Vetha potheher . Joseph Arul Pragasam. 39.M. pp. Technol. Sagayaraj . T. The standard potassium dihydrogen phosphate (KDP) crystal gave a SHG signal of 130mW per pulse for the same input energy. Tamilselvan . Sagayaraj.stretching CO2. S.7 1046. Premanand.4 927.. Victor Antony Raj . Gulam Mohamed. Sagayaraj.6 Assignments NH3+ asymmetric stretching vibrations NH3+ symmetric stretching vibrations CO2. Ravikumar. J. S.3 NLO Studies The SHG intensity of LT was determined by powder technique of Kurtz and Perry  in which the second harmonic output was generated by irradiating powder samples of randomly oriented crystaliites. P. have been successfully grown.6 703. Powder XRD confirms the structure of LT to be Orthorhombic. S. D.K. I.9 1366. 416-417 Research Paper Auxilium et al _______________________________________________________________________________________________ (0 1 4) 160 140 120 100 80 60 40 20 0 10 15 20 25 30 35 40 4.K. 1(3). Optical Materials. FTIR spectrum reveals the presence of various functional groups. Kurtz S. S.29(2007) 1211–1216 . Res. Vol.INT. Senthil . 417 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Vibrational Assignments of LT Wave number ( cm-1) 3184. Madhavan. M. and Perry T. Praveen Kumar. FTIR spectrum of LT References . 379838l3. Phys. K. . Aruna. 3. Ambujam. S.3 2051. INN. Thamizharasan . Praveen Kumar . Anuradha. J.. V. Madhavan. NEW.
2.6 N. S. In this investigation. INTERNATIONAL JOURNAL OF NEW INNOVATIONS . UV-visible. Bulk crystal of the doped KDP was grown by the slow evaporation method.Valine doped Potassium dihydrogen phosphate(KDP) has been grown from low temperature solution growth method by employing slow evaporation of the solvent. For the preparation of seed crystal. Murugan2.. O=P-OH bending at 900. J. The doped crystal was grown using a good quality seed crystal at room temperature by solvent evaporation method. Improvement in the quality of the KDP crystals and the performance of KDP based devices can be realized with suitable dopants. Keywords: Amino acid. 418-420 Research Paper ISSN:2277-4459 GROWTH AND CHARACTERIZATION OF MANGANESE (II) CHLORIDE AND L-VALINE DOPED KDP SINGLE CRYSTALS R. Shivani Engineering College. UV-visible.07 mN to 19.5 cm-1 and P-OH deformation / K-OH stretching have been observed. National College (Autonomous). Manganese (II) Chloride.INT.T. NEW. In the FT-IR spectrum OH stretching at 2475. From the graph the following frequencies confirm the presence of doping agents. FT-IR. Crystal structure has been studied by Powder X-ray diffraction.Ramakrishnan college of Technology. UV-VISIBLE spectroscopy shows the transparency of the crystal. Balamurugan3. mechanical and dielectric properties of the doped crystal were studied with the characterization studies such as Powder XRD. XRD. To analyze the influence of metal ions and amino acid based dopants on the non-linear optical property of and other properties of KDP crystals. optical.1. When compare with the pure KDP .Ramesh1. CH2 bending or P=O symmetric stretching at 1296. saturation solution of doped KDP prepared first and then in beaker covered with a perforated poly-ehhylene and allowed to grow seed crystals with 4-5 days. R. FT-IR spectrum was recorded by using a PERKIN ELMER SPECTRUM RX1 spectrometer in the Wave number range 400-4000 cm-1. Figure 1. Experimental Procedure 2. chemical.com Abstract: Single crystals of Manganese (II) chloride and L. The growth period takes 25-30 days for bigger size. Dielectric studies were studied and the mechanical properties crystal was carried out by Vickers Hardness test using a SHIMADZU-HMV-2 in the range of 98. Tiruchirappalli.O-P-OH symmetric stretching at 1771. Micro hardness 1.2. S. 1(4). 2 Department of Physics. 418 chemical. Crystal Growth The mixing of MnCl2 and L-Valine of each 0. Tiruchirappalli. The grown crystals ware found colorless and transparent. Frequency ranges confirm the presence of the doping elements. 3 Department of Physics. Introduction KDP finds widespread use as a frequency doubler in laser applications and has been studied in great detail. (Figure 1) 2. mechanical and dielectric properties. solution growth.5mol % were dissolved in 50 ml of deionised water and then KDP was added upto the solution reaches the super saturation condition at room temperature. The purity crystal was improved by successive recrystallization process. The effects of impurity atoms on the quality and performance of the material are analyzed. The structural. In order to confirm the presence of functional groups in the crystal lattice. e-mail: rmshsth4@gmail.Pari2. Doped KDP crystal 3. 2012. K. FT-IR spectrum of doped KDP crystals confirms qualitatively the doping of L-Valine and Manganese (II) chloride in the host crystal. A. FT-IR. The result for the doped KDP has been discussed below. the growth aspect of the mixing of MnCl2 and L-Valine doped KDP has been studied. Tiruchirappalli. Characterization The mixing of MnCl2 and L-Valine doped KDP crystal was subjected to investigate the structural.1 FT-IR spectroscopy Figure.44 cm-1. INN.34 cm-1. The optical properties of the grown crystal were studied by the transmission spectra using PERKIN ELMER LAMBDA 35 model in the Wavelength region from 190-1100 nm. To find the lattice parameter values of doped KDP Powder X-ray diffraction was recorded. KDP. Ravichandran2 1 Department of Physics. efforts were made to dope KDP with various metal ions and nearly with all types of amino acids. optical.32 cm-1.2 shows the vibrational frequencies corresponding to the band assignment of the doped KDP crystal. Results and Discussion 3. Micro hardness and Dielectric studies respectively.
419 Figure.3494 A0 . Figure. the dielectric constant and dielectric loss of the samples were calculated.114 0. capacitance.806 D 0.053 -20. the hardness values for various loads are tabulated in Figure.2 Band assignment of the doped KDP crystal. where f is the frequency of applied field. 1(4).5. Silver paste electrodes on opposite sides ensure good electrical contacts.163 0.INT. conductivity (σac) has been calculated using the expression: σac = 2πfCt/A. Dielectric studies The dielectric constant (εr) and dielectric loss (tanδ) of doped KDP crystal was carried out at room temperature for various frequencies 1 kHz by. The functional groups present in the grown crystal INTERNATIONAL JOURNAL OF NEW INNOVATIONS . This transparency in the visible region is a desired properties of materials for nlo applications. The crystal irrespective of the dopants is transparent in the entire visible region. Figure. 3. Conclusion Optically clear doped KDP crystal with dimension 20 x 8 x 8 mm3 has been grown by slow evaporation method. 418-420 Research Paper Ramesh et al _______________________________________________________________________________________________ Figure. Powder XRD was used to analyze the characteristic peaks.7543 A0 ) and the volume of the unit cell (v=364. The origin of some peaks (around 580 nm ) in doped sample shows that the structure of KDP doped sample is altered. The resistance. Capacitance and the Dissipation values for various frequencies are shown in table 1. The maximum value of hardness for doped KDP is 119 kg/mm2. The samples were cut and polished using wet cloth polishing sheet. t is the thickness and A is the area of the samples. Dielectric studies Frequency 100 Hz 1 KHz 10 KHz 100KHz 200 KHz Cp 4.2 Powder X-ray Diffraction The powder XRD study was conducted to verify the single phase nature of the sample. Figure.0885 A. The sample was electrode on either side with silver paste to make it behaves like parallel plate capacitor.82 A0) this suggest that the crystal retain almost the single phase structure and exhibit very slight variation in the unit cell parameter on doping of Mncl2 and L-valine. The a.116 3.c. INN.419 4. εr = Ct/0.. From the values of capacitance and dissipation factor. 4 UV –visible spectra for the doped KDP crystal The dielectric constant (εr) of the all KDP crystals were calculated through the capacitance by the fundamental equation.5 Table 1.774 3.164 0.107 -1.visible spectrum The UV –visible spectra for the doped KDP crystal is shown in the Figure. The dielectric loss (tanδ) of the samples were calculated by the relation.3 shows the powder XRD patterns of the doped KDP crystal using tetragonal crystallographic equation . 3 powder XRD patterns of the doped KDP crystal 3.5 Hardness for doped KDP 3. and dissipation factor values were directly measured from LCR meter. where C is the capacitance.4 Hardness test The hardness measurements were made using the Vickers pyramidal indentor for various loads.3 UV. 3. lattice parameter values are calculated (a=7. NEW. c=6.4. 2012. J.109 0. tanδ = dissipation factor × εr.
” 4th DAE-BRNS Laser Symposium. K. S. Parekh and M. Kumaresan. Joshi. pp. Parekh and M. 30. NEW. INN. 2008. Rode and B. No. 603-610. Balasingh. Vol. Vol. T. 45. No. G. Thermal and NLO Studies on Amino Acid (L-Arginine and L-Alanine) Doped KDP Crystals. B. B. Muley. Vol. 2010. S. Kumaresan. 24.” Bulletin of Material Science. 116. Parikh. 2005. R. Anbarasan. pp.INT. J. 418-420 Research Paper Ramesh et al _______________________________________________________________________________________________ have been confirmed by FT-IR spectral analysis. 1. Freeda.” Indian Journal of Pure and Applied Physics. 6569. 2. L-Histidine and L-Valine) on the Performance of KDP Crystals. J. B. 6. 4. 2. No. The UVvisible spectra show slight variation in the transparency due to the doping of two elements. No. Kumaresan. 1(4). P. M. C. No. P awar. Dave.” Indian Journal of Physics. FT-IR and SHG Efficiency Studies of L-Arginine Doped KDP Crystals. 2009. D. Priya. 1033-1038. H. B. M. 521-522. L-Histadine. D. pp. pp. Dielectric constant and the dielectric loss values have been studied by the Dielectric studies finally it shows high micro hardness value only because of the doped elements. D. 1549-1555.”Bulletin of Material Science. Vol. H.. 5. 2007. B. “FT-IR. Gunasekaran and G. Anbarasan “Influence of Dopants (L-Glutamic Acid. L-Histidine and Glycine on the Growth of KDP Single Crystals and Their Characterization. J. Ramkumaar. 9. 123126. “Thermal Dielectric Studies on Pure and Amino Acid (L-Glutamine. 420 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . 2. 7. S. 11. M. Vol. Vol.” Journal of Optoelectronics and Advanced Materials. B. M. 9. “Analysis on Suitability of Pure and α-Histidine Doped KDP Crystals in High Speed Applications. S. 3. Dave. 6. Vol. 511514. M. J. 5. K. “Electrical Conductivity Measurements on Gel Grown KDP Crystals Added with Urea and Thiourea. pp. 2009. Moorthy Babu and P. J. Anbarasan. 4. N.” Optical Materials. G. 2. “Thermal. 2001. pp. “Effect of Metal Ion and Amino Acid Doping on the Optical Performance of KDP Single Crystals.” Crystal Research and Technology. Mahadevan and C. 30. References 1. C. 2007. Parikh. Suresh Kumar and K. pp. pp. 2012. 105-112. B. Padma. No. P. Vol. 8. Vol. P. “Effect of LArginine. D. 2001-1368. LValine) Doped KDP Single Crystals. 46. M. “Growth and Characterization of L-Alanine Doped KDP Crystals. No. 83. Rajendra Babu.” Acta Physica Polonica A. Joshi. Moorthy Babu and P. Moorthy Babu and P.
85 INTERNATIONAL 32. Characterization 3.85 20 1741. 1(4). The Diammonium Hydrogen Phosphate crystal belongs to the phosphate group and the hydrated nature of this crystal creates hydrogen bonding and this leads to have good optical properties.00 402. Thiruchirapalli.20 99. Date: 1/30/2012 Spectrum Name: RGV. phosphate. Good quality crystals were obtained within a period of 40 days. Hence it is studied under low temperature. This was filtered with filter paper and taken in a chloride.07 1741.34 55.INT.0 RGV. 2012. J.00 % T 18 1. Tamil Nadu.00 0. The beaker was sealed and placed at room identified. NEW. Introduction The search for new materials led to the discovery of many inorganic crystals.0 90 3841.00 3.64 80 70 60 50 %T 40 705.pk Figure1.Joseph's College ( Autonomous ) 2.13 600 JOURNAL OF NEW 3841. slow evaporation 1.1 FTIR Analysis The infrared spectroscopy is an important tool in understanding the chemical bonding.98 1403.India 3 Department of Physics.India PG & Research Department of Physics.27 3149.Tamil Nadu. National College.India. Good quality crystals were harvested in a growth period of 40 days by slow evaporation of the solvent at room temperature.09 705.Vidhya1.96 INNOVATIONS .sp 1800 4000. The phosphate group and NH are also FT IR SPECT RUM 4 groups glass beaker.02 10 3149.G.41 3. which is the desired property of NLO materials.00 8. The optical properties of these crystals are studied from FTIR and UV spectrum. UV. 421-422 Research Paper ISSN:2277-4459 GROWTH AND CHARACTERIZATION OF MANGANESE DOPED DIAMMONIUM HYDROGEN PHOSPHATE CRYSTAL R. FTIR Spectrum of doped DAHP RGV.. Crystal Growth crystal has one hydroxyl group which may give rise to a T richy-2 Saturated solution of 100 ml was prepared at room band of stretching vibrations.Vijayalakshmi3 2 Department of Physics.com 1 Abstract: The non-linear optical single crystals have attracted the scientists and technologists due to their potential applications in the field of optical processing. The functional groups are identified.sp temperature.02 26. The absorption at 705cm-1 temperature using recrystallized DAHP and Manganese indicates the presence of halide group due to manganese chloride. 100. Thiruchirapalli.0 3000 2000 cm-1 1500 1000 402. The single crystals of manganese doped diammonium hydrogen phosphate are grown by slow evaporation method. L. Mananese doped.99 4. This St. Solid DAHP loses ammonia readily on heating.34 30 2008. Tamil Nadu.41 1403. Keywords: DAHP.0 4000.20 2008.00 421 REF 4000 81. 3. In the recent past there have been extensive effort to develop new inorganic NLO crystals. e-mail: vidsigc@gmail. Shrimati Indira Gandhi College. R.Ramasamy2.64 80. Auxilliam College. INN. FTIR.27 2000 32. The FTIR spectrum ACIC is recorded. electro optical switches etc. The grown crystals have wide optical transparency in the visible region. Pudukottai.
2 1. Organic chemistry. UV Transmission Spectrum of doped DAHP Instrument Model: Arithmetic 422 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Recent trends in crystal growth.SP 101.0. INN.Meerut(2001) C.36. Ramasmy. Vol.0. 2012. UV spectrum of pure DAHP Spectrum Name: RGV. Conclusion There are some marked changes in the FTIR spectrum of doped DAHP crystal. Banwell.Muralidharan. Anna University.1992 2.0 190. The transparency of crystals was measured in the region 190 – 1100 nm.Pragati Prakasan. NEW. The study of absorption edge is essential in connection with the theory of electronic structure.0 0. A little absorption is seen 206. pp1379-1389(2011)  www. NewYork(1998) P. P. St Joseph College. 5. UV spectrum 4.6 1. I. 01 190.1.ias.0 1.SP 2.in/matersci/bm sau2004/327 K. The results are compared with the results of pure DAHP crystal. The recorded spectrum shows good transmission in the lower Date: cut off 1/31/2012 region.2. Chennai (2000). Anna University.4 0.N. Fundamentals of Molecular Spectroscopy. The absence of strongly conjucated bonds lead to wider transparency ranges in the visible and UV spectral region. 421-422 Research Paper Vidya et al _______________________________________________________________________________________________ ACIC St. Tiruchirapalli for helping us to carryout FTIR and UV studies.0 Figure4.Spectroscopy.Kaur.2 UV Analysis A good optical transmittance is the desired property of nonlinear optics. Aditanar College Of Arts And Science.Crystal growth 263(2004) 510 National conference On Recent Trends In Crystal Growth Thin Films And Nano Structured Materials-5-6 Aug.0016382 800 900 References 1000 1100.0 Instrument Model: Arithmetic Figure 3.0 95 90 85 80 75 70 65 60 55 %T 50 45 40 35 30 25 20 15 10 5 0. Finar H.INT. McGrawhill.0 300 ACIC St.Joseph's College( Autonomous) Trichy-2 Figure2..Meera. Prapunmanyum.Joseph's College( Autonomous) Trichy-2 400 500 600 nm 700 801. Chennai  R. Absorption in the near ultraviolet region arises from electronic transitions. The absorptions lead to a loss of conversion efficiency of SHG. J. R.63217 Date: 1/31/2012 UV spectrum  Journal of minerals and materials characterization and engineering vol10.Dhanasekaran.0 300 400 500 600 nm 700 800 900 206.78.60 3.6 0. 2009. Acknowledgement The authors are thankful to the staff members of the instrumentation lab.8 0. which leads to the prediction of whether the band structure is affected near the band extreme. The authors like to thank the management authorities and the Department Of Physics of Shrimati Indira Gandhi College and National College for the constant encouragement to carry over the research in crystal growth. Dhanasekaran. 2. UV recorded spectrum shows good transmission and the absorption is less compared with the results of pure DAHP crystal. 1(3).8 1.2 2. No15. L. 1000 1100.2 -0.Ramasamy J. R. Proceedings of UGC summer school on crystal.4 A 1.ac.3nm.4 206.36. UV Absorption Spectrum of doped DAHP Spectrum Name: RGV. Tiruchendur.
1 1 Abstract: Potassium Dihydrogen orthophosphate (KDP) and its isomorphism are representative of hydrogen bounded materially that posses important piezo-electric ferroelectric. LPE).g. 1. Fabrication of metallic/dendrite crystals(e. Furthermore. 2.T. Trichy. 3. India 3. Epitaxial has similarly separated from bulk crystal growth and has split into: 7. ferroelectric. PG & Research Department of Physics. 2. To solute in 100cc water. India 4. high-Tc superconductors. precipitation takes place and a number of seeds appear on the bottom of the beaker. 4. optical communications and different up to electronics applications. NEW. and Electro-optic and non-linear optical properties. broad transference range a high optical damage threshold and relatively low production cost. 1. S. GaN.Kalpana2. The various solubility rations were achieved by dissolving 35gm to 40 gm. INN. EXPERIMENTAL PROCEDURE A well-cleaned beaker was filled with 100cc of deionised water. second harmonic generation and having appreciable NLO properties which have drawn much attention for their significantly theoretical interest and commercial application in the optical modulation frequency conversion and electro optics and so on. Materials classes (GaAs. The saturated solution was filtered with utmost care. chemicals) 6. Saturated solution of KDP was prepares using water as solvent. The crystals were separated and good quality seeds are selected for growth of the crystal. India 2. J. Fundamental theoretical and experimental crystal growth studies. numerous specialized INTERNATIONAL JOURNAL OF NEW INNOVATIONS . 9.INT. Laboratory crystal growth for preparing research samples. 3. /MOVPE. R.04. scintillator crystals and acousto-optic crystals have about equal shares of 10%. optical logic.03.06 at room temperature. National College. II-VI compounds. Tamilnadu.1 Explanation and Growth of KDP The world crystal production is estimates at mare than 20000 tons per year. The obtained solution was poured in five china clay dishes and dept in an undisturbed ventilated container. In few days. 1(4). INTRODUCTION Non-linear optics is a very useful technology because it extends the usefulness of lasers by increasing the number of wavelengths available. This scale of crystal production and the fact that most crystals are produced in factories specialized in silicon or GaAs or LiNbO3. As a consequence of these separations and splits. 423-425 Research Paper ISSN:2277-4459 GROWTH AND CHARACTERIZATION OF RARE EARTH DOPED L-PHENYLALANINE MALEATE (LPM) SINGLE CRYSTALS Judith Jayarani. A physical balance had been utilized for accuracy. Dhanalakshmi Srinivasan College of Arts and Science for women. Potassium Dihydrogen Orthophosphate (KDP) and its isomorphism are representative of hydrogen bonded materially that posses important piezo-electric. sugar. 8. has caused an increasing degree of specialization. Tamilnadu.KDP are well known for their good piezoelectric . and electro-optic and non linear optical properties. Perambalur.. Industrial fabrication of single crystals and their machining and characterization.Sivakami3 and A. The crystal growth Procedure and the structural compound with their applications are discussed in this paper. optical switching. ALE. InP. Keywords: Pure and Doped KDP. 1 Department of Physics. The UV data of structural compound was studies (or) hard in appearance. As can be seen in Figure . The solubility ratio considered in this growth process was 1. turbine blades) 5. India. optical crystals. 2012.Ravichandran4 Department of Physics.A1. etc.05 and 1. They have attracted interest of many theoretical and experimental research probably because of their comparatively simple structure and very fascinating properties associated with a hydrogen bond system involving a large isotope effect. Inp. 2. whereas laser and nonlinear-optic crystals and crystals for jewelry and watch industry have shares of few % only. crystal growth has split into five major areas so that cross-fertilization and communication are more and more reduced: 1. The solution was stirred well using a glass rod for about 30 minutes after reaching the saturation. etc. low-dimensional/quantumwell/quantum-dot structures. Epitaxy growth methods (VPE. GaAs. GaP. Tamilnadu. UV and micro hardness 1. 423 4. 1. Perambalur. second harmonic generation. Department of Physics. CdTe and its alloys. high-speed information processing.Tamilnadu. MOCVD. Perambalur. Dhanalakshmi Srinivasan College of Arts and Science for Women. MBE. frequency shifting. 2. Fundamental/theoretical and experimental epitaxy studies and surface phenomena. electro-optics. Dhanalakshmi Srinivasan College of Arts and Science for Women. In view of its vital applications in the area of optical modulation. of which the largest fraction of about 60% is semiconductors silicon. Mass crystallization (salt. Non linear optics has emerged as one of the most attractive field of current research.
In the visible spectral range the same shows high transparency as shown in figure. A well cleaned beaker was filled with 250ml amount of water which was doubly distilled.91 Load: 50grm S.No L1 L2 HV 1 2 53. Varying from 10gram to 100grams are applied over a fixed interval of time.1 Microhardness Studies for Pure and Doped KDP end members.80 2 39. this is the most desirable property of the material possessing NLO activity. 2012..3 2 35. 3.93 40.91 37. With each load. it seems that the proposed hardness depends on the time also.No L1 L2 1 39. diagonal length of the indented impressions obtained at various loads are measured.1.93 68.464 gm. The situation is critical in research and development involving crystal growth and epitaxy. when the load was decreased.2 61. new specialized journals appear.464 gm.32. event o the extent that formally well defined terms are misused. Due to a worldwide lack of education in these areas. frequently growth methods are employed for problems for which they are not well suited or even not suited at all. growth kinetics. RESULT AND DISCUSSION OF VICKERS 3.4 Load: 50grm S.2 44.No 1 2 HV 28. The crystal were harvested and good quality (size and shape is important) crystals are selected for further studies.57 44.95 46.86 57. (L-Serine doped KDP). Selected smooth surface of a crystal is subjected at room temperature to static indentation tests using a hardness tester fitted with a diamond pyramidal indenter and attached with light microscope. INN. 423-425 Research Paper Judith et al _______________________________________________________________________________________________ HARDNESS(HV) conference.620 35 30 80 60 40 20 300 400 25 %T 20 15 10 5 0. T rich y-2 Dat e: 10. It is postulated that for specific growth technology considering thermodynamics.84 HV 44.6 2 23. and economic factors.51 68. Here the water was chosen as solvent. The solution was then powered in a clean beaker and covered using aluminum foil with some hole in it for evaporation to takes place. ACIC St.12 60.38. 1(4).83 82. The composition of hardness is a nonlinear function and from the graph. NEW.33.17 52. Vicker’s pyramid indenter has been used to study the micro hardness of pure Potassium Dihydrogen Orthophosphate single crystals.7 Load: 100grm S. and the common language gets more and more lost.3 L1 44. After that the solution was filtered with almost care.18 40.0 KDP PURE 45 40 100 328.1 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .64 83.73 37. the value starts increasing. It should be kept on an undisturbed place.0 Instrument Model : Lambda 35 0 0 20 40 60 LOAD(grm) 80 100 120 In the present work. The L-Serine Salt (dopant) added with the solution was 1. By heating the solution the nucleation site will occur quickly and crystal will grow in a faster rate.5 x 250x0. By using the below concentration formula the KDP salt was added gradually with the solvent by weighing the amount of the salt before adding.97 57. Microhardness Studies for Pure KDP Doped KDP: Test Mode : Vickers Hardness Test Sample Name : KDP-Serine Load: 25grm S. From the graph. Seed crystals were appearing on the bottom of the beaker. and seed crystal keeps on growing and attain the maximum size till the solvent get evaporated.No L1 L2 HV 1 23. The crystal is better transport in the entire UV visible and near IR region.0 190. Finally the solution reached the reached the saturated state with certain amount of solute.Jo sep h' s Colle ge.INT. which is about 20 to 30% of the value of the end members. The Saturated solution was allowed to cool.16.070 524.0 500 600 nm 700 800 900 1000 1100.60 23.2 Growth of L-Serine Doped Potassium Dihydrogen Orthophosphate Seed Crystal The same procedure was followed for growing LSerine doped KDP as the dopant for different concentration. Molarity = 117.3 3.05 1000 = 1.82 L2 46.2012 UV Spe ctru m Spe ctru m N a me: KDP-PURE.9 28.44 23.2 Ultra-Violet Visible Spectroscopy Studies Transmittance: The UV visible transmittance spectra of pure KDP crystal was recorded 200-1100nm. several trails of indentation are carried out and the average value of the diagonal lengths of the indentation mark is calculated and a graph is drawn.No L1 L2 HV 1 35. 2. workshops and schools are established and regularly organized. Load (P).SP 50. Pure KDP: Test Mode : Vickers Hardness Test Sample Name : KDP-Pure Load: 25grm S. Using micrometer eyepiece. As days go on crystallization takes place. J. The hardness increases slowly with composition rising to a maximum value in the equimolar region. This is attributed to difference in the sizes of two mixing ions and the intermediate composition depends on the pure and 424 Figure 1.
Moorthy Babu Crystal Growth center. The transmittance in the grown crystals has been found by UV transmittance. The Brittleness constant and fatigue constant value also depend on the hardness number.INT.Tabor. and other sound reproduction devices. amino acid L-Serine doped KDP crystals have been grown by slow evaporation techniques at room temperature.S. CONCLUSION The growth of Potassium Dihydrogen Orthophosphate crystals by solution method under slow evaporation technique was carried out in this project work. “The hardness of metals”.James and R&C Kell. Chennai”. P. KDP is a binary compound belongs to tetragonal system. Chennai. 1(4).D. The harvested crystal was subjected to UV – Visible transmittance studies for calculate transmittance of the grown crystal.02 Date: 23-1UV 2012 HV 63. 3. REFERENCES 1.Santhanarahavan & Ramasamy “Crystal Growth center. New York (1973) Process J. 6. 5.0 15.C. Shimomura . Issue 3-4 (1994) Pages: 256-257 2.73 2 52.699 6 0.. The hardness studies have carried out on the grown crystal and dislocation density and mechanical parameters will show dependence on the load and time.0 300 400 500 600 nm 700 800 900 1000 1100. The diagonal length change depends on the load and hardness number HV decreases. Pergsmon press. J. 423-425 Research Paper Judith et al _______________________________________________________________________________________________ Load: 100grm S. every new approach has its own potential application and kinetics. It sources the grown crystal have better crystal quality as determined by transmittance. KDP crystals have been grown by slow evaporation techniques at room Instrument Model: Lambda 35 temperature.0 14 13 12 11 10 9 8 %T 7 6 5 4 3 2 1 Spectrum Name: KDPSER. A new nonlinear optical material. NEW. UV visible transmittance spectra of pure KDP crystal 4.9 64.Brice. P. 2012.No L1 1 52. The hand vested crystal was subjected to UV – visible transmittance studies for calculate transmittance of the grown crystal. Even though many of the researchers done work in the Potassium Dihydrogen Orthophosphate. Gupta kumar.0 Figure 2. Anna University. It sources the grown crystal have better crystal quality as determined by transmittance.0 190. INN.Kumarasan. A new non-linear optical material. J.3. The volume of the unit cell decreases because of the substitution of an atom with lower atomic radius Potassium Dihydrogen Orthophosphate excels various applications in the field of piezoelectric transducers in microphones.SP Spectrum 325.66. “Crystal Growth”. every new approach has its own potential applications and Kinetics. Even though many of the researches done work in the a Potassium Dihydrogen orthophosphate. Clarendon Press (1951). 4.99 55. Anna University. Solid state physics 425 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . 1986. “Journal of crystal growth” Volume: 144.59 L2 54.A.
and laser displays. Trichy. Figure 1 shows the Powder XRD pattern of the pure LPM crystal. Loyola College.23 and 3. conversion efficiency.5406Ǻ) radiation. The same procedure was applied to grow the rare earth (La3+and Nd3+) doped crystals by adding 2 mol % of La3+and Nd3+to the respective LPM solution. Karunanithi1. Powder X-ray diffraction studies of pure. 2. rare earth dopants have been incorporated to improve the physicochemical properties of LPM. 3. UV-Vis. Band gap of doped crystals are found as 4. Pari2 and J. From the Insert in Figure 4 the optical band gap of pure LPM single crystal is found as 4. In the recent past. *Corresponding Author: jmadhavang@yahoo. It is seen that both the pure and doped crystals crystallizes in orthorhombic P212121 space group. The incorporation of dopant into the parent solution has promoted the growth rate and improved the quality of the 426 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Powder X-ray diffraction studies were carried out and the lattice parameters of the grown pure and doped crystals were calculated. La3+and Nd3+ doped LPM crystals were carried out. C6H5CH2CH (NH2) + C4H4O4 C6H5CH2CH (NH3) + COOHC4H3O4 – crystals. National College. The effects of these different dopants on the structure and optical properties have been investigated. phase matching and temperature stability [1. damage threshold. It is evident that the pure crystal possesses a wide optical transparency window from 390 -1100 nm. XRD. EXPERIMENTAL PROCEDURE High purity L-phenylalanine (Merck 99%) and maleic acid (AR grade) were taken in 1:1 molar ratio and dissolved in deionized water. The diffraction patterns of the pure and doped LPM crystals have been indexed by least square fit method. Chennai-34. M. The solubility for LPM was determined by dissolving the recrystallized salt in deionized water in an air tight container maintained at a constant temperature with continuous stirring.2 UV-Vis-NIR Studies The optical transmission spectrum of LPM single crystal was recorded in the wavelength region of 2002000 nm using VARIAN CARY 5E spectrometer. The samples were scanned for 2θ values from 10˚ to 70˚ at a rate of 2˚ /min. There are slight variations in the lattice parameters and cell volume of the pure and doped crystals. ophthalmologic or other medical techniques. 2 Department of Physics. SHG 1. NEW. there have been extensive efforts to develop new inorganic. INN.45 eV. A systematic study was carried out on the growth of pure and rare earth (La 3+ and Nd3+) doped LPM crystals. Purification is an important step in order to obtain single crystals of high quality.Victor Antony Raj1. The spectra of pure LPM crystal are shown in Figure4. 1(4). organic and semi-organic nonlinear optical (NLO) crystals. using Siemens D500 X-ray Diffractometer with Cu Kα (λ = 1.com Abstract: An efficient Non Linear Optical(NLO) L-Phenylalanine Maleate (LPM)single crystals have been grown by a slow evaporation technique from the aqueous solution by doping with Lanthanum and Neodymium sulfate .. 2012. It is observed that the addition of dopants have considerably lowered the band gap values. 3. The NLO property of the grown crystal has been confirmed by Kurtz-powder second harmonic generation (SHG) test.1 Powder XRD studies The structural properties of single crystals of pure and doped LPM have been studied by X-ray powder diffraction technique. These variations are due to the incorporation of La3+and Nd3+in the LPM crystal lattice. 426-428 Research Paper ISSN:2277-4459 GROWTH AND CHARACTERIZATION OF RARE EARTH DOPED L-PHENYLALANINE MALEATE (LPM) SINGLE CRYSTALS U. Keywords: L. The reaction is as follows.1100 nm without any absorption peak. From the Figures 5 and 6 it is seen that the doped LPM crystals are more transparent than the parent crystal in entire transmission range of 300 . Hence the synthesized salt is purified by successive recrystallization process. such as transparency. The powder XRD pattern of the La3+and Nd3+ doped crystals are shown in Figure 2 and 3. INTRODUCTION Versatile and efficient sources of NLO devices are important requirements for various applications including optical data storage. The key factors for material selection depend not only on the laser conditions but also on the physical properties of the crystal. J. CHARACETRIZATION 3. S. spectral analysis. It is also clearly indicates that the UV cut-off wavelength lies at 390 nm. The grown crystals were characterized by X-ray Diffractometer (XRD) and UV–Vis–NIR. The growth and size of the doped crystals are respectively faster and better than the pure crystals. In the present work. 2].INT.Madhavan1* 1 Department of Physics.9 eV.Phenylalanine maleate.
4 (h) [(eV) (m )] 2 2 -2 6.00E+008 2.5 (h ) [(eV) (m )] 2 2 -2 1.0 5.0 4.5 5.6 1.units) 2.0 Energy(eV) 1.030 Nd-LPM (h) x 10 [(eV) (m )] -2 2 8 2 0. 2012.2 2. 1(4).2 Powder XRD pattern of La. Optical absorption spectra of pure LPM 2.00E+000 4.50E+010 1.010 0.000 -0.00E+000 3. The above studies reveal that the doped crystals possess improved optical properties.00E+010 LPM 1. So doping a material will improve its optical properties and makes it suitable for NLO devices. CONCLUSION Single crystals of pure and doped LPM are conveniently grown by employing slow evaporation technique. 427 The presence of dopants has marginally altered the lattice parameters without affecting the basic structure of crystals.005 0.00E+007 Absorption(arb. 426-428 Research Paper Karunanithi et al _______________________________________________________________________________________________ 2.00E+007 La-LPM 2.00E+007 0.025 0.units) E g = 4.0 h (eV) 0.0 3.0 2 3 4 5 6 7 h (eV) 0. The optical transmission spectra of pure LPM confirm that the crystals possess higher percentage of transmission over a wide range from 250-900 nm.6 Bandgap 8.INT.5 0.45eV 1. INN.0 0.5 3. Optical absorption spectra of La-LPM The presence of low cut-off wavelength and the wide optical transmission window are the suitable parameters for frequency doubling of laser radiation .5 1.00E+009 0.0 200 400 600 800 1000 1200 Wave length(nm) Fig.3 Powder XRD pattern of Nd-LPM Figure 6.4 200 400 600 800 1000 1200 Wavelength(nm) Figure . Powder XRD studies confirm the structure of grown crystals.00E+010 Absorption (arb.5 0. INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Optical absorption spectra of Nd-LPM 1.040 Bandgap 0.units) 5.8 1.5 4. The presence of dopant has improved the transparency window.005 2.00E+007 4.015 0. J.9 eV 2 3 4 5 2.020 0.23 eV 1. 4.5 Absorption (arb.0 200 400 600 800 1000 1200 Wave length(nm) Fig.LPM Fig 5.0 Bandgap 2. NEW. Optical band gap of the grown crystals declined due to the addition of dopant.035 0..1 Powder XRD pattern of LPM Fig 4.
Merline Shyla . and P. August 2010. Prabha. pp 3365–3370 . Sujatha . 428 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .Selvakumar. 62 15. 426-428 Research Paper Karunanithi et al _______________________________________________________________________________________________ REFERENCES . 293. J. Ambujam.. aterials Letters. Packium Julius. M.J.. 2012. A. (2007). Ravikumar. J. J.405. 1(4). Lydia Caroline M. INN. K.K. Cyrac Peter . Res. 2245-2248. Madhavan. J. Vol. A. Sagayaraj Cryst. 409(2006). Madhavan. S. 41(2006) 997. NEW.INT.P. Joseph Arul Pragasam. S. M. M. Physica B . . J. pp. Madhavan. . Vimalan . GinsonJoseph. Aruna. Technol.S.S and Sagayaraj.. and Vasudevan S. J. Crystal Growth. P. Aruna. T. Gulam Mohamed.
Ravichandran3 2 Department of Physics. second harmonic generation and having appreciable NLO properties which have drawn much attention for their signification theoretical interest and commercial application in the optical modulation frequency conversion & electro optical and so on. The absorption or reflectance in the visible range directly affects the perceived color of the chemicals involved. A physical balance had been utilized for accuracy. 1.25 um-26um range is desire. EXPERIMENTAL PROCEDURE A well-cleaned beaker was filled with 100cc of deionized water. The solubility ratio considered in this growth process was 1.58g to solute in 100cc water. The material cleaves readily & can be used at temperature up to 300○c. Keywords: L.04. Ammonium Dihydrogen Orthophosphates is used for windows & prisms when transmission through the 0.ADP is water soluble must be protected against moisture degradation of polished surfaces. The very high energy Nd: Glass laser use for inertial fusion research needs large plates of nonlinear crystal for electro optic switches and frequency convertors. precipitation takes place and a number of seeds appear on the bottom of the beaker.Arginine ADP single crystal had been grow by slow evaporation technique using water as solvent at room temperature.4 to 72.J College of Arts and science. Saturated solution of ADP was prepares using water as solvent. J. The obtained solution was poured in five china clay dishes and kept in an undisturbed ventilated container.T. 2012. Dhanalakshmi Srinivasan College of Arts and Science for woman. INTRODUCTION Ammonium Dihydrogen Orthophosphate is one of the most useful materials for general purpose spectroscopic windows and application where sensitivity to moisture is important. The fundamental growth behavior of doped ADP will be investigated. INN.L. Irradiation of Ammonium Dihydrogen Orthophosphate produces color centers ADP is produced in large ingots by the kyropoulous growth method.K. 1(4).. J. 429-431 Research Paper ISSN:2277-4459 GROWTH AND COMPARISON STUDIES OF PURE AND L-ARGININE DOPED ADP SINGLE CRYSTAL K. XRD. National College (Autonomous). Tiruchirappalli-620 001 1 Abstract: Ammonium Dihydrogen Orthophosphate is one of the most useful material for general purpose spectroscopic windows and application where sensitivity to moisture is important. After 15 to 20 days large size single crystal was seen in the beaker.kavitha2.1 Growth of Large single crystal of Ammonium Dihydrogen Orthophosphate: 429 The selected good quality seeds are suspended in saturated solution of Ammonium Dihydrogen Orthophosphate (ADP) was prepared in the same method as discussed above and after every week the saturated solution was replaced with fresh saturated solution of Ammonium Dihydrogen Orthophosphate (ADP) for better growth. The various solubility ratios were achieved by dissolving 65. In few days. molecules undergo electronic transitions. The crystals were separated and good quality seeds are selected for growth of the crystal. The grown crystal will be characterized by UV-visible spectroscopy and Micro hardness test.Saranya2. 2. The solution was stirred well using a glass rod for about 30 minutes after reaching the saturation. NEW.ADP are well known for their good piezoelectric. Perambalur 3 Department of Physics.Dhanabalan1.06 at room temperature. Experimental set up and the method of suspending the seed 3. RESULT AND DISCUSSION Ultra violet spectroscopy (or) ultraviolet visible spectrometry refers to absorption spectroscopy or reflectance spectroscopy in the ultraviolet visible spectral region.05 and 1. In this region of the electromagnetic spectrum. A. In the present study crystal of doped L. This means it uses light in the visible and adjacent (near UV and near infrared (NIR)) ranges. This technique is complementary to fluorescence spectroscopy in that fluorescence deals with INTERNATIONAL JOURNAL OF NEW INNOVATIONS . The effect of comparison of pure and amino acid doped will be studied. ADP is most commonly used beam splitter material for IR spectrophotometer.INT. It cleaves early with care it can be polished to a high standard under humidity controlled condition. SHG 1. Figure 1 illustrates the experimental set up and the method of suspending the seed in the beaker. In addition of doping such as amino acids the grown ADP single crystal better crystalline quality because it suppose the metal ions. UV-Vis.03.Arginine. Figure 1. The saturated solution was filtered with utmost care. 1. 2. Pudukkottai Department of Physics .
Using micrometer eyepiece. the value starts increasing.SP 65 40.14. Visible and near IR region. Chemical. cone or pyramid made of a material much harder than the test sample. 2012.99.714 562.22. Here the hardness is measured in terms of the resistance of the material to indentation. Vickers’s pyramid indenter has been used to study the micro hardness of pure Ammonium Dihydrogen Orthophosphate single crystals.. rapid and economical way of determining the resistance of materials to deformation. 429-431 Research Paper Dhanabalan et al _______________________________________________________________________________________________ transitions from the excited state of the ground state. NEW. This method rates the materials on their ability to scratch one another. 1(4). sintered tungsten carbide or diamond indenters are generally used. In the visible spectral range the same shows a high transparency (figure 2).0. smooth and never very sharp due to the fact that the electronic absorption is accompanied with a corresponding change in the vibrational and rotational energies as well. The UV Vis spectra of doped ADP crystal 430 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . when the load was increased.08. The composition of hardness is a nonlinear function and from the graph.34.962 50 327. Clinically & Pharmaceutical – To find out optical density 4. This is attributed to difference in the sizes of two mixing ions and the intermediate composition depends on the pure and end members.0 5 0. INN.62. 3. elasticity. With each load. there are three different types of tests.1 Application 1. Absorption spectroscopy in the different regions of electromagnetic spectrum has been an important tool to the analyst since a long time. In general. Trichy-2 Dat e: 10-1-2012 ADP PURE 80 70 60 50 40 30 20 10 0 0 20 40 60 LOAD(grm) 80 100 120 Figure 3.Joseph's College.0 38 60 55 36 34 32 922.098 544.193 35 %T 30 25 16 14 12 10 8 20 15 10 6 4 2 0. Trichy-2 Dat e: 23-1-2012 HARDNESS(HV) UV Spectrum Spectrum Name: ADP-L-AR. while absorption measure transitions from the ground state to the excited state. several trails of indentation are carried out and the average value of the diagonal lengths of the indentation mark is calculated and a graph is drawn (figure 3).0 300 400 500 600 nm 700 800 900 1000 1100.SP 70.To find out unknown concentration and wavelength maxima 2.0 190.129 45 40 26 24 22 20 %T 18 328.0 Figure 2. diagonal length of the indented impressions obtained at various loads are measured. Load (P).INT. Dyes – To find out color concentration 5. Selected smooth surface of a crystal is subjected at room temperature to static indentation tests using a Vickers hardness tester fitted with a diamond pyramidal indenter and attached with light microscope. The absorption peak thus obtained is broad. Material Science – Find out materials optical properties and its concentration The UV Vis transmittance spectra of pure ADP crystal was recorded in the wavelength range 200-1000 nm.Joseph's College. Absorption of energy leads to transition of electron from ground state of excited state.0 300 400 500 600 nm 700 800 900 1000 1100.0 UV Spectrum Spectrum Name: ADP-PURE.619 30 28 1065. This is the most desirable property of the materials possessing NLO activity. Physical. They are i) Scratch hardness measurement ii) Rebound hardness measurement iii) Indentation hardness measurement The first method is generally used by mineralogists. ACIC St. The resistance depends on friction.58. Micro hardness of pure Ammonium Dihydrogen Orthophosphate single crystals A load is applied to the indenter which his at right angles to the surface of the sample.26.99. Varying form 10 gram to 100 grams are applied over a fixed interval of time.53. Environment Science – Effluent water analysis and its concentration 6. J. viscosity along with the intensity and distribution plastic strain produced by a given tool during indentation. Hardened steel. In the second method a standardized body is dropped on the surface of the material and the hardness is measured on the basis of the height of rebound. Vibrational (Evib) and rotational (Erot) with decreasing magnitude in same order for a system.71.33. The indenter is normally a ball. The UV Vis spectra of pure ADP crystal Instrument Model: Lambda 35 Instrument Model: Lambda 35 Figure 4. Any molecular system possesses three types of energy namely electronic (Eele).To find out band gap of the crystal and its optical properties 3. ACIC St. Hardness tests provide an accurate.0 190.008 381. In the present work. The crystal is better transparent in the entire UV.91.
431 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .J. Similarly L. Aruna. 409(2006).This is the most desirable property of the materials possessing NLO activity. The Brittleness constant and fatigue constant values also depend on the hardness number. Madhavan. 4. Cyrac Peter . T. Packium Julius. 1(4). Gulam Mohamed. The diagonal length change depends on the load and hardness number HV increased. it seems that the proposed hardness depends on the time also. NEW. aterials Letters. The UV Vis transmittance spectra of L-Arginine ADP crystal was recorded 200-100nm. GinsonJoseph. K. Ravikumar. . The harvested crystal was subjected to UV-visible transmittance studies to evaluate the transmittance of the grown crystal. REFERENCES . 429-431 Research Paper Dhanabalan et al _______________________________________________________________________________________________ The hardness increases slowly with composition rising to a maximum value in the equimolar region. Merline Shyla . M. P. J.Arginine doped the ADP have more application compared to pure ADP Crystal. The crystal is better transparent in the entire UV. . The Hardness studies have been carried out on the grown crystals and the dislocation density and mechanical parameters showed considerable dependence on the load and time. and P. J.Selvakumar. Ambujam. (2007). every new approach has its own potential applications and Kinetics... Visible and near IR region. Vol. and Vasudevan S. In the visible spectral range the same shows high transparency . Lydia Caroline M. From the graph.S and Sagayaraj. August 2010. Ammonium Dihydrogen Orthophosphate excels in various applications in the field of piezoelectric transducers in microphones. J. Even though many of the researchers done work in the Ammonium Dihydrogen Orthophosphate. Prabha. Madhavan. 62 15. Res. Crystal Growth. and other sound reproduction devices. J.P. The Ammonium Dihydrogen Orthophosphate crystals were subjected to Vickers hardness test with various loads for different time.405. M. Aruna. Madhavan. INN. Joseph Arul Pragasam. Sujatha .. Sagayaraj Cryst. A. 293. 2012. which is about 20 to 30% of the value of the end members. A.S. CONCLUSION The growth of Ammonium Dihydrogen Orthophosphate crystals by solution method under slow evaporation technique was carried out suucessfully. J. 41(2006) 997..K.INT. pp 3365–3370 . S. Vimalan . Physica B . Technol. J. pp. M. S. 2245-2248.The grown crystal have better crystal quality as determined by transmittance.
Madhavan1* 1.941 6. KDP. because they occupy an intermediate position between inorganic crystals and polymers. S. 2. Characteristics of ULMA Lattice parameters a (Å) b (Å) c (Å) O O The synthesized salt of ULMA was utilized for the measurement of its solubility in water.1 Synthesis From aqueous solution with equimolar proportion of urea and L-malic the product compound ULMA CO(NH2)2C4H6O5 is formed. Urea L-malic acid (ULMA) is a NLO organic material which is reported to exhibit second harmonic efficiency three times that of the widely used inorganic crystal. Department of Physics.2 Intensity (arb. Table 1. EXPERIMENTAL PROCEDURE 2. Photograph of as grown ULMA 350 (1 0 1) ULMA (1 1 1) ULMA 9. 2. Here the selected compound was grown successfully by slow evaporation technique and powder x-ray diffraction studies were carried out to conform the crystal structure and parameters and thermal studies dielectric properties also carried out. these materials can be used for data storage. Figure 1 shows the photograph of as grown pure and doped crystals in a period of 50 days. LUMO. Chennai -34. Dielectric Studies 1. The lattice parameter values of pure and doped ULMA crystal were calculated and are well matched with the reported literature . Figure 1. In the present work.. Loyola College. PHOTOCONDUCTIVITY AND HOMO. Pari2 and J.units) 300 250 (2 1 1) 200 150 (1 1 0) (1 1 -1) (2 0 1) (3 1 0) 100 (0 2 0) (2 1 -1) (1 2 1) (2 2 -1) (0 1 1) (2 2 1) 50 Crystal System Space group Volume (Å3) O 0 10 20 Two theeta 30 (1 2 -2) (3 0 1) Figure 2. The diffraction patterns of the crystals were indexed by least square fit method. XRD.01 *Corresponding Author:jmadhavang@yahoo.INT.888 90 94. National College. Prathap1. the growth characterization and theoretical studies of ULMA is discussed in detail.com Abstract: Organic single crystals are the model systems to study effects caused by ion impact. 3. NEW. HOMO. INN. Trichy . and telecommunication. The theoretical investigation on the frontier molecular orbital (FMO) energy levels of the title compound. INTERNATIONAL JOURNAL OF NEW INNOVATIONS 432 (3 2 0) 40 . INTRODUCTION Nonlinear optical materials have great impact on information technology. Nonlinear optical (NLO) organic materials play an important role for optical second harmonic generation (SHG) due to their applications in the domain of optoelectronics and photonics [1-2]. LUMO OF UREA L – MALIC ACID (ULMA) S. 432-434 Research Paper ISSN:2277-4459 GROWTH STUDIES OF DIELECTRIC. The Bulk crystals were grown by successive recrystallization and the crystals are found to be transparent and free from defects. Powder XRD pattern of pure and doped ULMA crystal. optical information processing. we can ﬁnd that the corresponding electronic transfer happened between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) Keywords: Urea L-malic acid. KDP.055 6. CHARACTERIZATION 3 .66 90 Monoclinic P21 586.1 Powder XRD studies Figure 2 shows the Powder XRD pattern of pure and doped ULMA crystal. J. Urea L-malic acid (ULMA) is a NLO organic material which is reported to exhibit second harmonic efficiency three times that of the widely used inorganic crystal. Department of Physics. 1(4). 2012.
J. Selvakumar. the growth of promising NLO crystal of ULMA single crystal was achieved by slow evaporation technique.2 Shows the plot of dielectric loss and dielectric constant versus applied frequency of ULMA. K.. Prabha. J.INT. 432-434 Research Paper Prathap et al _______________________________________________________________________________________________ 3. P.6 2. CONCLUSIONS In the present work. and the lattice parameters were determined. Sagayaraj. 10134 a.  4. It reveals that the energy gap relates the chemical activity of the molecule. HOMO represents the ability to donate and electron. The dielectric studies reveal the low value of dielectric constant / dielectric loss of the crystal at high frequency region.0 2. Both the dielectric loss and constant has high values in the lower frequency region and then it decreases with the applied frequency and increases with different temperatures.. S. Field dependant conductivity of ULMA 3.2 3 4 5 6 logf Figure 3.1 and 3. 1(4). Dielectric loss 2.3 Photoconductivity studies Photoconductivity studies were carried out at room temperature for ULMA crystals. HOMO-LUMO Energy Gap of ULMA 4 2 3 4 5 6 7 logf Figure 3. Joseph. using Keithley 485 pico ammeter Dark current and photocurrent are measured for various values of applied electric field. Journal of crystal growth 293(2006) 409.4 HOMO-LUMO The HOMO-LUMO energy gap of ULMA was calculated at the B3LYP/6. 3. 2012. Packiam Julius. LUMO as an electron acceptor represents the ability to obtain an electron.u. It is observed from the plots ULMA exhibit positive photoconductivity. Madhavan. INN. Applied Field (V/cm) Figure 4. The photoconductivity studies of ULMA confirm the positive photo conducting nature of the sample.p) level and is shows in the Fig 5.2 ULMA 3. REFERENCES . The applied frequency has been represented by logarithmic values in the plot.8 3. The HOMO-LUMO gap was determined by Gaussian Software and its energy gap is -0.311++ G (d. Powder X-ray diffraction studies were carried out. S.2 Variation of Dielectric constant 450 ULMA 400 350 300 Ip Id Current (nA) 250 200 150 100 50 0 0 500 1000 1500 2000 2500 3000 3500 The plots of photocurrent and dark current as a function of the applied field for ULMA crystal is as shown in Figure 4.1 Variation of Dielectric loss 18 ULMA 16 14 Dielectric Constant 12 10 8 6 Figure 5.4 2. Aruna.2 Dielectric studies Figure 3. Ginson P. NEW. 433 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . J.
Perez-Garrido Synthetic Metals 115 (2000) 225 . 434 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .Sundaraganesan. K. de Matos Gomes. E. Madhavan. M. Venkataramanan. N. J. Belsley. ProencËa . G. Kavitha. Estrada. Mani. Criado.. Journal of crystal growth 300(2007) 409. Nogueira. A. K. M. Gulam Mohammed. Prabha. P. Rajarajan.. F.J. Sebastin Iindian Journal of Pure & Applied Physics vol 48. Vimalan. 2012. S.INT. Sagayaraj. . NEW. J. M. January (2010). INN. E. E.pp20-30. 432-434 Research Paper Prathap et al _______________________________________________________________________________________________ . V. Dianez. S.D. M. 1(4). M.
chemical stability (3-4) and small eddy current loss when operating at high frequencies (10-500 MHz) (5). The resultant dried product was sintered at 600oC.45 15. rod antennas. The magnetic behavior of the samples were analyzed and reported. Infrared spectroscopic analysis using KBr pellets were carried out at the range of 4000400 cm-1 in a Perkin-Elmer FTIR RXI spectrometer. Thanks to their high resistivity. Key Words: Co precipitation. Cobalt Zinc ferrites are the most versatile magnetic materials for general use.6) Zn (0. Table 1. Department of Physics. Government College of Technology. E-mail: azhagushanmugam@yahoo. FTIR. The IR Spectra for the samples measured in the range of 4000-400 cm-1 exhibit symmetric stretching mode vibration of tetrahedral and octahedral sites. XRD data were taken at room temperature using Cu Kα (λ= 1. The average crystallite size was calculated from the line broadening in XRD pattern. The NaOH reagent is added into the metal solutions in a beaker until precipitation.6H2O. Surface morphology of the samples was studied using scanning electron microscopy (SEM) technique. These includes sol-gel. mechanical hardness. The product was dried at a temperature of 100 oC to remove water contents. The precipitates were thoroughly washed several times with distilled water to remove salt residues and other impurities. Fourier transform infrared spectroscopy (FTIR) were carried out to investigate structural and chemical aspects of COZn ferrite. Coimbatore-641 013. scanning electron microscopy (SEM). Tamilnadu. Among the different spinel type ferrite. NEW. 435-437 Research Paper ISSN:2277-4459 STUDY OF MAGNETIC PROPERTIES OF COZn MIXED SPINEL FERRITE BY CHEMICAL SYNTHESIS ROUTE S. (oC) As prepared(100) 600 Particle Size(t) (nm) 13. high Curie temperature.10 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Muthayammal Engineering College. low dielectric losses. Cobalt Zinc ferrite is a mixed spinel in which the tetrahedral (A) site are occupied by Zn2+ and Fe3+ ions and the octahedral (B) site are occupied by Co2+and Fe3+ ions in the spinal formula AB2O4. Metal chlorides with stoichiometric ratio of Co(0. They have many applications in low and high frequency devices and play a useful role in many technological applications such as microwave devices. INTRODUCTION Recent interest in the study of several spinel. Of all these process chemical coprecipitaion seems to be most convenient method for the synthesis of nano 435 magnetic particles as large yield rate. 1(4). The selection of an appropriate process is therefore the key to obtain good quality ferrites. The scanning electron micrograph was recorded by using Leica Stereo Scan 440 scanning electron microscope. The crystalline sizes of the COZn ferrites were increased in the sintering temperature. It is also known that the physical properties of the ferrites are very sensitive to the method of synthesis. The magnetic properties of the samples were studied by using vibrating sample magnetometer at room temperature.2H2O and FeCl3. Sri Rama Krishna Mission Vidhyalaya College of Arts and Science.Jayaprakash3 Department of Physics. N. 2012. Various synthesis processes have been used for preparing nano sized ferrite particles. The crystallite size was determined from the X-ray diffraction (XRD) data. The cubic spinel structure in single phase has been confirmed by X. SEM. INN. X-ray powder diffractometry (XRD).co. sonochemical reactions. Coimbatore-641 020. 2. Particle size (t) of the synthesized samples Sintering Temp.4) Fe2O4 were dissolved in minimum volume of distilled water with constant stirring. radio frequency thermal plasma assisted synthesis (9) and glycine nitrate process(GNP)(10). Tamilnadu.Suriyanarayanan2 and R. It is very simple and has better control over crystalline size and other properties of the materials. power transformers in electronics. Rasipuram-637 408. read/write heads for high speed digital tape etc.Azhagushanmugam1.J. hydrothermal. The distribution of the various ions in tetrahedral and octahedral sites is different when the ferrite is synthesized at low temperatures with the particle size in a nanometric scale (6). mechanical ball milling (7-8).type ferrites has focused on the development of nanosized particles at low temperatures by different chemical synthesize techniques in view of the potential applications of these nanosized magnetic materials in different technological areas (1-2). 3 Department of Physics. XRD. Zncl2. Tamilnadu. EXPERIMENTAL MATERIALS AND METHOD Ferrite nanoparticles were prepared by chemical coprecipitation route using metal chlorides such as CoCl2.5406Ao) radiation.6H2O.. J.ray diffraction. VSM studies emphasis the effect of crystalline size in magnetic properties. chemical coprecipitation. VSM 1.INT.in 2 1 Abstract: COZn spinel ferrite powder was synthesized by using chemical co-precipitation method and followed by annealing temperature at 100oC and 600oC.
which represents the well crystalline single phase.1. The intensities for the bonds corresponding O-H stretching vibration decreases drastically when sintering temperature is increased.10nm with the increase of temperature. a similar behavior has been reported for other magnetic materials (11). Fig. The average grain size is determined using the Scherrer’s formula.6cm-1. 7 also show that the saturation magnetization increases with increase in sintering temperature and particle size. The characteristics bands at intensities ≈3400 cm-1.45nm to 15.7cm-1 was appeared. SEM image aggregates to non uniform particles having orbicular shapes with porous nature. Fig. 5 shows the M-H loop of the prepared samples. INTERNATIONAL JOURNAL OF NEW INNOVATIONS . The measurements were made at room temperature. INN. ≈1599 cm1 and ≈1380 cm-1 are due to O-H stretching vibration interacting through bonds . This decrease is due to the loss of the residual water in the samples.4)Fe2O4 sintered at different temperatures is listed in table 2. 436 3. 3 IR spectra of the sintered samples Fig. This might because of re-evaporation of zinc atoms during the sintering. 1(4). J.6) Zn (0.65 48. Hysteresis parameter like saturation magnetization (Ms) of Co(0.5 M-H loop of the prepared samples. RESULTS AND DISCUSSION The X-ray diffraction patterns confirm the spinel structure of Co (0. similarly the octahedral site is appeared at 545. The stretchy vibration of tetrahedral size of Cobalt Zinc ferrite at 669. 2 shows the effect of sintering temperature on particle size of the synthesized samples.6) Zn (0. 435-437 Research Paper Azhagushanmugam et al _______________________________________________________________________________________________ Table 2. 6 and Fig. The XRD pattern shows peak intensity for the crystalline phase increased and the peak width decreased with increase in sintering temperature. NEW. Fig.70 Fig.. 4 Scanning Electron Micrograph of the sintered sample Fig. 2012. Fig. The XRD pattern confirmed that the samples sintered at 600oC which has a larger particle size and is boosted towards a higher degree of saturation at this increased temperature.4) Fe2O4 sample sintered at 600oC. In all the sintered samples a ferromagnetic behavior was observed.4) Fe2O4 prepared via the chemical synthesis route is shown in Fig. 2: Variation of particle size with temperature Fig.6)Zn(0.INT. The particle size of the samples increases from 13. Table 1 shows the particle size (t) of the sintered samples. The sharper peaks indicate the crystalline size increases with sintering temperature. IR spectra analyses of the sintered samples in the range 4000-400 cm-1 are shown in Fig 3. 4 shows SEM image of Co (0. Saturation magnetization (Ms) of the synthesized samples sintered at different temperatures Sintering Temperature (OC) As prepared(100) 600 Fig. The saturation magnetization values were highly affected by increase in the temperature as a consequence of the gradual increase in the crystallinity and particle size. The entire peaks match well with the standard one with no extra line corresponding to the other phase. 1 X-ray diffraction patterns of the sintered samples Saturation magnetization(Ms) emu/g 32.
Kim.Pradhan. S.. N. Schlett.185 (199-196) (1998).B.D.T.chem. Shimotsuma.Magn. 35 (2002) 517. Dasilva.S. Magn. 2012. R. Magn.T.P. 437 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .A. Pannaparasi.Magn.Mater. H...702 emu/g) is obtained due to the large particle size. Adjipanayis. J. 7.28(194)671-676.Phys. NEW.V. Fig.Magn. S. 4. Hoh.96(85)(1998).I..Appl. J.. Kang. Mater.N. S. S. mater.. S. (226-230) (2001).Lin.Devlin.J.Crystallogr. INN. Magn .Y.. 5.Morup.K.D.H.J.Oak. superparamagnetism and spin glass ordering in magnetic nano composite.. The high saturation magnetization (48. J.E.Liu.T.. REFERENCES 1... The particle size of the synthesized Co-Zn ferrite is below 16nm. Klabunde K.F. 1(4). S.. 209 (189) (2000).. Lee.Mater. Sorensen P.K.C..Appl. An FTIR spectrum of the samples confirms the intensities for the bands corresponding to tetrahedral and octahedral sites.82 (2003) 27. Sugimoto .S.rev.. 1993. J.K.. Mater.H. J....G.phys. J.69 (5349) (1991).B. 9. J. E. Tsay..lett.M.Y..powder technol.Bid. Caizer. 54 (9288) (1996). The characterization studies such as XRD and SEM confirm the nanocrystalline nature of the particles. An.E.S. Z.A. 262 (198) (2003).H. 435-437 Research Paper Azhagushanmugam et al _______________________________________________________________________________________________ Fig 6 Variation of magnetization with sintering Temperature 4. Phys.K. J. CONCLUSION This work emphasizes the magnetic study of nano crystalline Co Zn ferrite by chemical synthesis route. Choi. The particle size and saturation magnetization increases with increase of sintering temperature. 10.92 (2125) (2002) 3. Abdeen.S. Europhys. Marande. 11..INT.. Komarneni.G.C. K. J. Magn.Kostikas. Magn.Bid. 6.M. 7 Variation of magnetization with particle size 2.Phys. Ahn.Y. 8.Appl... Mohallem. Chen..Pradhan.Bacek. Hrianca.
Refractive index.com Abstract: L-Threonine acetate(LTA)a semi organic nonlinear optical material was grown by solution growth method. Reflectance. Advance in developing new physical principles of optical measurements has been achieved by extensive works and intensive efforts of a great number of scientists and researchers. The resulting aqueous solution was filtered and allowed to evaporate under optimized conditions to grow crystals by slow evaporation method at room temperature.4times greater than KDP. The UV-Vis-NIR absorption spectrum show minimum absorption in the entire visible region. *Corresponding Author: email@example.com.. SHG 1. Keywords: L. Further other linear optical parameters like Extinction coefficient. K. 2 Department of Physics. When absorption is monitored from shorter wavelength to longer wavelength. The values of the direct optical band gap Eg were obtained from the intercept of (h)2 versus h curve plotted in Fig. real time holography. 438-440 Research Paper ISSN:2277-4459 LINEAR AND NON-LINEAR OPTICAL PROPERTIES OF L-THREONINE ACETATE (LTA) SINGLE CRYSTALS G. all the preparation and purification processes were carried out in aqueous solutions. Victor Antony Raj1. 1 represents the powder diffractogram for the grown LTA crystal. Fig. the enhanced transmission is observed between 300 and 1100 nm.Threonine Acetate. 2. 2012. Pari2 and J. S. The specimen was scanned in the reflection mode in the 2θ range 10–45◦. n. The Kα radiations (λ = 1. Prabagaran1. As the entire region does not bear any absorption band it can be used for NLO applications. if any. power limiters.Madhavan1* 1 Department of Physics.1 Powder crystal XRD The purified samples of the grown crystals have been crushed to a uniform fine powder and subjected to powder X-ray diffraction using a Rich Seifert powder X-ray Diffractometer. NEW. CHARACTERISATION 3. (1 0 5) (1 1 2) (0 2 0) 700 600 500 Intensity (arb. 3. The spectra indicates that LTA crystal has minimum absorption in the region between 250–1200 nm.units) (0 1 2) (1 1 1) 200 (0 1 1) (0 1 3) 300 (0 2 2) (1 2 2) (0 2 7) 0 10 15 20 25 30 35 40 45 Two theeta Figure1.. The synthetic reaction is as follows. National College.3. Trichy. Chennai-34.2 Optical Properties of LTA The optical absorption spectrum of LTA single crystal is shown in Fig. M. Tauc’s plot. Variation of these optical constants with incident photon energy is analyzed. in an NLO material near the fundamental of the second harmonic will lead to less conversion efficiency in those wavelengths. INN. Band gap tailoring at the ultraviolet end and visible region of the visible spectrum is of considerable interest for large area optical device fabrications. The optical band gap (Eg) of the grown crystal is obtained from the tauc’s plot. self-focusing white-light continuum generation and photonic applications. . In the present study. A good optical transmittance is very desirable in an NLO crystal since the absorptions. SYNTHESIS AND CRYSTAL GROWTH AR Analytical grade L-threonine (AR grade) and acetic acid were dissolved according to the stoichiometric ratio in double deionized water. 1(4).5406 A° ) from a copper target were used. R) of the candidate material are calculated and related with incident photon energy.INT. Second Harmonic Generating (SHG) efficiency of the candidate material was determined by Nd:YAG Q-switched laser Kurtz powder techinqe and its 1. 3. Second harmonic generating efficiency (SHG) of the LTA single crystal is found and its greater than the KDP. The optical band gap of Non Linear Optical(NLO) materials can be controlled via the modification of their chemical structures. J. C4H9NO3 + CH3COOH C4H10NO3+CH3COOThe grown crystals are found to be transparent and free from defects. The fast developments in the field of optoelectronics and photonics necessitates the search for new and efficient nonlinear optical (NLO) materials. The present study is aimed at measuring directly the band gap energies of LTA single crystal using UV-NIR spectroscopy which is particularly suitable for the determination of absorption edges of powdered materials. The optical constants (a. Loyola College. Powder XRD pattern of LTA 438 INTERNATIONAL JOURNAL OF NEW INNOVATIONS (2 2 3) 100 (2 1 0) (2 1 5) 400 . Complex dielectric constant and Optical conductivity are calculated from absorption data. INTRODUCTION The search of new materials with large nonlinearity is motivated by the development of nonlinear optical devices such as ultrafast optical switches.
19 0. The grown crystal LTA were subjected to Kurtz  Second Harmonic Generation (SHG).50E+009 1.00E+009 0. Extinction coefficient Vs Incident Photon Energy 70 Figure 8.46 4. NEW. Refractive index Vs Incidient photon energy 0.4 shows Extinction coefficient Vs photon energy and variation of reflectance with incident photon energy is depicted in figure.INT.00050 Figure 7.00010 1 2 3 4 5 6 7 1 2 3 4 5 6 7 5.5.17 0. It is shown that the refractive index and extinction coeﬃcient of LTA changes with increasing Photon energy . INN.5 Refractive index Abs 3.5 0.Refractive index.00E+010 op(s ) -1 6.00E+010 0.50E+010 extinction coefficient 0. Reflectence Vs Incident photon energy The band gap is found to be 3.16 0.21 0.9 eV.14 (h) [(eV) (m )] -2 2 2 1. Opticalconductivity Vs Incident photon energy 60 50 40 30 20 10 1 2 3 4 5 6 7 Photon energy(eV) Figure 5.44 3.18 0.0 0.42 2.0 0.50E+009 0. 438-440 Research Paper Prabagaran et al _______________________________________________________________________________________________ 0.38 1 2 3 4 5 6 7 500 1000 1500 2000 Photon energy(eV) Wavelength (nm) Figure 2. 1(4).3 NLO studies Second harmonic generation (SHG) efficiency was measured to get an idea how much efficient the material is in transferring energy from fundamental laser beam to second harmonic beam.48 4. Figure. Energy band gap of LTA 0.00040 7.40 2. The second harmonic signal of 385 mW was INTERNATIONAL JOURNAL OF NEW INNOVATIONS 439 Reflectance . 7 and 8.22 complex dielectric constant 2.50E+010 photon energy(eV) Photon energy(eV) Figure 4. 2012.00015 0. 3..00E+009 5.00E+009 Figure 6.00E+008 0.50E+010 0.00030 0.23 2.0 0.00045 0.20 0. Optical absorption spectrum of LTA 3.00020 6.15 0.00025 0.00E+010 0. Complex dielectric constant Vs photon energy 8.9eV 5 6 7 1 2 3 4 5 6 7 Photon Energy(eV) photon energy(eV) Figure 3.5 0.00E+000 1 2 3 4 3. J. complex dielectric constants and optical conductivity as a function of incident photon energy for the given material are illustrated in figures 6.00035 7.
and Perry T. V..12. Prabha. Phys. Appl. Ginson P. Packiam Julius. Selvakumar. INN. Journal of crystal growth 293(2006) 409. .SHG efficiency of the LTA single crystal is 1. NEW. 13. J. S. S. Cryst.INT. P. Madhavan. Technol. 2012. Optics Communications . Mol. P. Sagayaraj. T. Comput.T. Complex dielectric constant. Calculation of Other linear optical parameters such as Extinction coefficient.K. 440 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Sagayaraj .No.C. Tamilselvan .. 2011. M. So the candidate material can be used for frequency conversion in NLO devices. Madhavan. K. . CONCLUSION Good quality single crystals of L-Threonine acceate (LTA) were grown successfully by slow evaporation technique. J. 1(4). Joseph. S. J. pp. Design. J. Dhanuskodi. P. Victor Antony Raj1 J. May 2008. 379838l3. . Method. Materials. (1968). REFERENCES . and Optical conductivity reveals the photonic property of the grown crystal and its variation with incident photon energy is analysed. J. Victor Antony Raj . Res. Reflectence. Senthil . 4. Praveen Kumar .. 267 (1999) . Vol. Opt. Refractive index. Sirohi S and Sharma T P. Powder XRD studies was carried out for the grown crystal and it was observed that the crystal belongs to orthorhombic crystal system with P2 1212 space group.Sabari Girisun and S. 44. S.Madhavan1 M.M. 438-440 Research Paper Prabagaran et al _______________________________________________________________________________________________ obtained for LTA single crystal with reference to KDP (275 mW). 1 (4):57-64 . Manivannan . Kurtz S. 39.4 times greater than KDP. (2009). J. Gulam Mohamed. Aruna.
Most of the organic crystals are composed of aromatic molecules that are substituted with π-electron donors and acceptors which exhibit intermolecular charge transfer resulting in high SHG efficiency. Low temperature solution growth was employed for the growth of bulk single crystals. scope for altering the properties by functional substitution.Madhavan1* 1 2 Department of Physics.Victor Antony Raj1. Optical quality crystal with dimension of 17×13×11 mm3 has been grown over a typical growth period of 3 weeks. The sample was scanned for 2θ values from 10˚ to 50˚ at a rate of 2˚ /min. 441-443 Research Paper ISSN:2277-4459 MECHANICAL AND THERMAL CHARACTERIZATION OF L-ARGININE MALEATE (LARM) SINGLE CRYSTALS R. L-arginine maleate transformed to its hydrated form with the addition of two molecules of water of crystallization to its crystal lattice. Powder X-ray diffraction studies of LArM crystal was carried out. *Corresponding Author:jmadhavang@yahoo. L-arginine (Merck.com Abstract: The present aim of the paper is to grow and study the various properties of L-Arginine Maleate (LArM) amino acid single crystal. Figure 2 shows the Powder XRD pattern of the LArM crystal. These compounds must crystallize in a non-centrosymmetric class in view of applications making use of quadratic optically nonlinear effects.Arginine Maleate. Kurtz powder SHG measurement confirms the NLO property of the grown crystal. Trichy – 01. 2. The synthesized material was then purified by repeated recrystallization process. optical computing. In this paper. 2012. using Siemens D500 X-ray diffractometer with Cu Kα (λ = 1. Hence they are optically more nonlinear than inorganic materials.. Chennai-34. 99. Hardness. LArM crystals hardness value was obtained from Vicker’s Micro Hardness test.5%) were dissolved in double distilled water to synthesize LArM. optical information processing. It is seen that the LArM crystals crystallizes in triclinic system with P1 space group. Seeds obtained from slow evaporation technique were used for bulk growth. leading to highly efficient charge transfer systems have been actively studied. NEW. L-arginine maleate was dissolved in double distilled water and kept in a constant temperature bath with a cryostat facility and stirring was achieved continuously for 8 h. India. The cell parameters were determined by powder X-ray diffraction analysis. 200 ml of saturated solution of LArM at 40 °C was prepared and the solution was filtered. 1 Photograph of as grown LArM 441 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Department of Physics. Kirubagaran1. M. CHARACTERISATION 3. The diffraction patterns of LArM crystal have been indexed by least square fit method. India. 99%) and weak organic acid. Photograph of as grown single crystal is shown in figure 1. Loyola College. Organic materials with delocalized π-electrons usually display a large NLO response which makes it most resourceful for various application including optical communication. laser fusion reactions and laser remote sensing . INN. The lattice parameter value of the pure LArM crystal has been calculated. 1(4). Pari2 and J. Thermal analysis was performed to study the thermal stability of the grown c rystals. Keywords: L.INT. INTRODUCTION New molecular organic compounds with one or more aromatic systems in conjugated positions. During this crystallization.2 Microhardness studies Vickers hardness measurements were taken for applied loads varying from 5 to 25 g for an indentation time of 10s. inherently high nonlinearity. maleic acid (Loba Chemie. Fig. SHG 1. J. 3. 3. Organic compounds are formed by weak Van der Waal’s and hydrogen bonds and possess high degree of delocalization . National College. the synthesis. SYNTHESIS AND CRYSTAL GROWTH AR Equimolar amount of strongly basic amino acid.5418Ǻ) radiation. single crystal growth of L-arginine maleate (LArM) from its aqueous solution by slow evaporation method is presented. high damage resistance etc . Some of the advantages of organic materials include flexibility in the methods of synthesis. optical disk data storage. XRD.1 Powder crystal XRD The structural property of the single crystals of LArM has been studied by X-ray powder diffraction technique. S. Further investigations on organic NLO materials have subsequently produced very good materials with highly attractive characteristics.
A second dissociation occurs at 182.00 50 100 150 200 250 300 350 400 450 500 550 600 650 700 750 800 850 o 5 10 15 20 25 Load P (gm) Tempertature( c) Fig.The value of work hardening coefficient is estimated from the plot of log p verses log d. units) 500 1. There is a slight difference in the weight loss in all the five stages.8 °C and continues up to 123.252% 18.0 600 Intensity (arb. 2. 3. in which 1/3 water molecule is eliminated at around the melting point. 5 TG-DTA curves of LArM single crystals The compound starts to lose water at around 83. The first stage being attributed to adsorption of water molecules.2 0.5. by the leastsquare fit method. 1.1 0. CONCLUSIONS Single crystals of LArM are conveniently grown by employing slow evaporation technique.38% Hv (Kg/mm ) 75 70 65 60 55 Weight(%) 2 60 50 40 0. TGA shows complete weight loss and the crystal show five stages of weight loss ..8 °C.0 ≤ n ≤ 1. So LArM single crystal is a suitable material for NLO devices.87% 0. 1(4).6 0. ammonia and rest part of water molecule. Fig. Vicker’s micro hardness values were calculated from the relation Hv = 1. 3 illustrates the Vickers micro hardness profile as a function of the applied test loads. The decrease of the micro hardness with increasing load is in agreement with the normal indentation size effect (ISE).5 °C. The hardness of LArM crystal reveals that it belongs to hard materials.3 Thermal studies Differential thermal analysis (DTA) and thermogravimetric analysis (TGA) of LArM crystals were carried out in the temperature range of 50–850 °C in inert nitrogen atmosphere at a heating rate of 20 °C/min. J. INN.05% 0.8 400 log p (1 0 0) (-1 0 1) (0 0 2) (0 1 0) (0 -1 1) (0 2 1) (0 0 3) (2 -2 1) 1. The work hardening coefficient ‘n’ for the (100) plane was found to be 1.2 0 10 20 30 40 50 0. The experiment was conducted on the well defined face (1 0 0) of the LArM single crystal. NEW.6 for hard materials and n > 1. which can be attributed to the melting point of the sample.8 °C.65% 0.6 for soft materials (Tanusri et al 2002). log P Vs log d of LArM 5.INT.20 o .6 300 1. 4. 3 Vickers hardness number Vs applied load of LArM Figure.Weight(%/ c) 0.15 27.8544p/d2 Pascal where p is the applied load in Newton and d the average diagonal length of the indented impressions in meter. The DTA curve of LArM shows an endothermic peak at 95.5–217.3 0. Optical quality crystal with dimension of 17×13×11 mm3 has been grown over a typical growth period of 3 weeks. 442 INTERNATIONAL JOURNAL OF NEW INNOVATIONS Deriv. Powder XRD pattern of LArM 95 90 85 80 100 90 Figure 4. The TGA and DTA curves of LArM are shown in Fig. From the XRD analysis it was found that the crystal belongs to triclinic crystal system having non-centrosymmetry with P1 space group. Thermal stability of the grown sample was studied by TGA and DTA analyses and the evidence of presence of two water molecules has been confirmed.25 80 70 16. The decomposition temperature is 185 ºC for LArM crystal. According to Onitsch.2 700 (0 2 1) 2. It is evident from the figure that the micro hardness of the crystal decreases with increase in the applied load.7 Two theeta log d Fig. 2012.10 30 20 10 0 31.05 0.5 0. Hence. 441-443 Research Paper Kirubagaran et al _______________________________________________________________________________________________ 800 2. it is concluded that LArM is a hard material. the second stage confirms the presence of lattice water molecules in the crystal.4 200 100 1. The hardness number and the work hardening coefficient data of the crystal show the anisotropic hardness nature of the crystal.51. results in the formation of volatile substances probably carbon dioxide.4 0.
T.M. J. J. Gabriele Boceli. Dong. Dharmaprakash. W. J. W. Y. 1167 (1989). Guang Ying.. . J. 441-443 Research Paper Kirubagaran et al _______________________________________________________________________________________________ REFERENCES . . Dharmaprakash. T.INT. S. 2012. Z. Zhao He. Pal.Cryst. 1(4). M. Tanusri Pal. Xiu Feng. Cryst.Mohan Rao. Growth 235 (2002) 511. & Lara Rigi. . 8.S. INN. of Materials Science Letters. 4(2004)43 . Cryst. T. Spectrochimica Acta Part A 75 (2010) 74–76 443 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Philominathan. Xin Quiang. C. Kar. Baraniraj. NEW.P. Growth 235 (2002) 523. Bhat.N.M. P. Growth Des. Tansuree .
890511) for ZnO. INTRODUCTION In this study ZnO thin films were grown over pre cleaned glass substrates using a low cost indigenous automated Successive Ionic Layer by Adsorption and Reaction (SILAR) method.2 employing various number of dipping. 1(4). J. India – 624104 Department of Physics. Fig 1: Typical XRD Diffraction pattern for 80 & 100 Fig 3: ZnO Coated on Glass Plate at RT number Dipping. The hardness value of the films was estimated in SH scale employing various numbers of dipping and post annealing at various temperatures. India – 630 303 4 Department of Physics. 444-446 Research Paper ISSN:2277-4459 MICROSTRUCTURE AND HARDNESS OF UNDOPED ZINC OXIDE NANO THIN FILMS GROWN BY SILAR METHOD S. The Structure and morphology of the films are reported. Undoped ZnO thin films ware grown using a two-step chemical bath dipping process in a solution comprising 0. 2012. Chandramohan2 Department of Physics. Karunakaran3. The study showed the (002) peak as the predominant peak for all the films indicating that the films have a preferred orientation of along (002) planes at 34.15406 nm).41°. Coimbatore. Hindusthan College of Engineering and Technology. Thirumalai4and R.2 M Sodium Hydroxide at a pH value of 10±0. indicating a perpendicular alignment of the c-axis of the grains. Ezhil Vizhian1. Balamurali2. The films are annealed at 300 degree Celsius uniformly before any characterization. The Morphology of the ZnO films were estimated at various post deposition conditions. The heat treatment at 300°C for 30 minutes is made mandatory for all films before any characterizations uniformly and is made as an important stage of the SILAR synthesis procedure. Figure 2 shows the typical SEM micrograph obtained for films heat treated at 300 degree Celsius for 30 minutes employing 80 and 100 number of dipping. Chennai. Devakottai. The observed “d” spacing values are in good agreement with the standard values (JCPDS card no. Keywords: ZnO thin films. The hardness values were also determined at various number of dipping cycles from 20 to 120 and post annealing at various temperatures for 30 minutes and are reported for the first time. The samples were partially crystalline in as deposited conditions and a post heat treatment is a must for all samples. BS. post annealing. Abdur Rahman University. 0.INT. The morphology of the samples resembled stacked nanorods. India – 641302 3 Annamalai Chettiar Research laboratory. RESULTS AND DISCUSSION Fig 1 shows the typical XRD pattern obtained for ZnO thin films grown by SILAR method for 80 and 100 successive dippings.1 M Zinc Sulphate. Kodaikonal Institute of TechnologyKodaikonal. SILAR method 1.. S. INN. undoped. India – 6000048 2 1 Abstract: In this report the synthesis and characterization of undoped ZnO thin films prepared by the double dip technique (SILAR method) onto glass substrates are presented. The X-ray diffraction (XRD) patterns were recorded on Philips X’Pert PRO system from PanAlytical diffractometer with Cu Ka radiation (k = 0.J. Fig 2: SEM micrograph of ZnO Sample with 80 & 100 number of dipping. 444 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . M. The Morphology changes with different deposition conditions. Sree Sevugan Annamalai College. 2. NEW.
The value of hardness measured at different number of dipping showed in all trails that the hardness value increased with number of dipping and associated with thickness of the samples as each dipping introduces a layer of thickness around 0. 400° C and 500° C. ZnO thin films were annealed at 500 ۫C for 30 minutes. INN. At 400°C the mean INTERNATIONAL JOURNAL OF NEW INNOVATIONS Fig 5: ZnO coated on Glass substrate at 400°C. Fig 6: ZnO coated on Glass substrate at 500 ۫C.3 shows the hardness value of the as prepared ZnO thin films measured at various positions on the same sample employing three trials. ZnO thin films were annealed at 400°C for 30 minutes before measurements and the results obtained are shown in figure 5. This position was fixed as standard for all samples.N. 1(4). average hardness (Sh. Fig 7 shows the dipping vs. The studies revealed that the hardness value decreased from 20 to 40 dipping compared to other two trails the line comes in an almost in a straight line. The films are made up of Nano crystalline surfaces with a morphology resembling stacked nanorods. These three trails show that the hardness value increases from 20 to 40 dipping. NEW. The increase of hardness and modulus due to the coating process could be attributed to residual stress induced by substrate bias for the sputtered W –C:H and TiC coatings [7.. The SEM studies revealed good quality of the films synthesized and surface uniformity.8]. It was suggested that the increase in hardness was due to Due to The residual stress is the reason for increase of the hardness value because of the various annealed temperatures. Hence the hardness distribution in films has to be studied by different samples at fixed locations of the sample. The hardness not only depends on the grain size. The hardness value gradually increased from 40 dipping to 80 dipping. The hardness results showed that the as-coated ZnO film was 38. The value of hardness measured at different number of dipping showed in all trails that the value changes with number of dips. Fig 4 shows hardness results of ZnO thin films annealed at 300o C measured at different positions. At room temp the hardness value gradually increased from 20 to 40 dipping and the hardness value are saturated up to 80 dipping almost in a straight line and the hardness value starts to increase from 80 to 100 dipping. The fact that the hardness increased with annealing temperature above 400° C suggested that crystallinity of the film was the dominant factor in affecting the hardness.33 Sh. Fig. Figure 6 also shows the hardness values for undoped ZnO films under post annealed conditions.N.INT. when the film was annealed at 300° C. Second and trail the values are 78 and 72 Sh N. but also on the ratio of grain size to the indentation size of the nanoindentation process . J. 444-446 Research Paper Balamurli et al _______________________________________________________________________________________________ Fig 4 : ZnO coated on Glass substrate at 300°C. The interstitial zinc and oxygen defects acted as barriers to the abrupt propagation of the dislocations.5 nm. This hardness line looks like a mountain structure. From 60 to 100 dipping the hardness value is gradually increased. The amount of interstitial zinc and oxygen defects decreased due to recrystalization at higher annealing temperature and the close packed planes were formed along the slip planes . 2012. It can be shown from Fig 7 that at 300°C the average hardness value increased gradually from 20 to 60 dipping and at 60 dipping the hardness value is high and gradually decreased from 60 to 100 dipping. However for 40 to 60 dipping reaches minimum value compare to other two trails.N) value of all the three trails. The First and second trail hardness results show a gradual increase but the third trail reveals after 40 dipping the hardness value is nearly saturated. For the first trail for 60 dipping film the value was around 82 Sh.N and the average hardness Increased from 60 to 80 Sh. Fig 5 shows the hardness values for undoped ZnO films under post annealed conditions. 445 . This indentation depth was selected to cause adequate plastic deformation during indentation but to avoid the substrate effect . The value reaches the highest at 80 dipping and begins to decrease slightly from 80 to 100 dipping.
we conclude that the hardness value depend on number of dippings and post annealing temperature and it is possible to tailor hardness value by proper choice of the number of dipping and post annealing temperatures. J. 8. Mater. INN. 1(4). Valanarasu and V. T. 10.M. S. Li-Yu Lin. Swaminathan. J. The hardness values where also determined and found to be dependent on dipping number and post annealing. 5. –J.R. Myoung. Wa ng. 2012. Coat. Coat. M. Yang. 7. 9.A. 444-446 Research Paper Balamurli et al _______________________________________________________________________________________________ value decreases in the range 20 to 40 dipping increased afterwards up to 80 dipping and at 100 dipping the hardness value began to decrease. F. Valanarasu. Surf. H. Dietl.Sato. K.  B. B. Microstruct. Technol. 2.C.B Fitzgerald.A Vijayan. Li.E. D. S. Eng. Jeong. Thirumalai and SP Subramanian. Sun.. Surf.A. S. Ferrand. A Struct. of Material Science 43 (2008) 1776-1782 Fig 7: Dipping Vs Avg Hardness of the ZnO Coated on Glass Plate. The Morphology of the ZnO films were estimated at various post deposition conditions. Sci. 400/ 401 (2005) 467. R. Jpn. 201 (2006) 4284. 3. Process.. Technol. S. Chandramohan. M. J. Kim.Chandramohan. The hardness values of 500°C annealed film increases from 20 to 60 dipping and begins to decrease resembling a the wave shape. REFERENCES 1. The Morphology changes with different deposition conditions. J. D. 446 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . 3. G. Lin.INT. Pujada. Matsukura.C.L. Mater. 39 (2000) 1555. 4 (2005) 173 T. J.Thirumalai. Janssen. 4.B. Coey.Mater.Katayama-Yoshida. 201 (2006) 2547.  H. J. Adv Sci Letter. J.M. From this study. Ohno.Venkatesan. C. NEW.Srikanth. Nat. L.Cibert. Vehoff.: Prop. CONCLUSION The synthesis and characterization of undoped ZnO thin films prepared by the double dip technique (SILAR method) onto glass substrates are presented. H.M. K. Vijayan. H.Appl. S. Science 287 (2000) 1019. Dae-Eun Kim. Thin Solid Films 517 (2009) 1690.Y. Phys. Thin Solid Films 516 (2008) 5419. Zhang.Elhil Vizhian. 3 (2010) 319-322 T. R. Y. D. A = ZnO Coated on Glass Plate at RT B = ZnO coated on Glass substrate at 300°C C = ZnO coated on Glass substrate at 400°C D = ZnO coated on Glass substrate at 500°C 6.
5406 Ǻ) radiation. INN. Pari2 and J. India Department of Physics.HIstidine Acetate. 55 50 LHA 3+ Nd . grown in a period of 35 and 30 days respectively. EXPERIMENTAL PROCEDURE 2. Prabakaran1. In order to improve the physicochemical properties attempts have been made to incorporate metal dopant.1 and 2. 3. and instrumentation [2-4].2H2O was synthesized by reacting equimolar proportion of L-histidine (kemphasol 98%) and acetic acid (AR grade) in deionised water. 1(4). L-Histidine acetate dihydrate (LHA) is one such organic nonlinear optical SHG crystal whose efficiency is three times higher than KDP crystals. 50 and 60°C).LHA Concentration (g / 100 ml H 2O) 45 40 35 30 25 20 15 30 40 50 o 60 Temperature ( C) Fig 1. J. INTRODUCTION In the search of new non-linear optical (NLO) materials compared to inorganic materials organic counterparts have high Second Harmonic Generation (SHG) efficiency. UV-Vis-NIR. XRD.1 Synthesis and Solubility The pure and doped compound LHis. Keywords: L. S. Inductively coupled plasma analysis. signal processing. SHG. The solubility studies of both pure and Nd3+ doped LHA were performed at six different temperatures (30. Solubility Curve Table. 2012. In this present work a systematic study has been carried out on the growth of pure and metal (Nd3+) doped LHA crystals by slow evaporation technique. 40. 447-448 Research Paper ISSN:2277-4459 RARE EARTH DOPED NON-LINEAR OPTICAL SINGLE CRYSTAL L-HISTIDINE ACETATE (LHA) P.com Abstract: Amino acids are the potential candidates for optical Second Harmonic Generation (SHG) because they contain chiral carbon atom and crystallize in noncentro symmetric space groups. CHARACTERIZATION 3.INT. Loyola College. NEW. Nonlinear optical (NLO) materials showing second harmonic generation (SHG) have been in demand over the last few decades due to technological importance in the fields of optical communication.34. The reaction that takes place between L-Histidine and acetic acid in water medium is as follows: C6H9N3O2 C6N3O2H10+CH3COO-+ CH3COOH Powder X-ray diffraction studies of the grown crystals were carried out. Trichy . UV. The SHG efficiency of the pure and doped LHA crystals were also studied using Nd:YAG Q-switched laser and the results are reported.. 2.2 shows the photograph of grown pure and doped crystals of LHA with dimensions of 14x8x7mm3 and 9x7x7mm3. using Rich Siefert & Co X-ray diffractometer with Cu Kα (λ = 1.1 Powder XRD studies 447 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . L-Histidine acetate dihydrate (LHA) is one such organic nonlinear optical material. The variation of solubility (g LHA / 100 ml H2O) with temperature for both pure and Nd 3+ doped LHA is shown in Figure 1. S.Vis Spectrum 1. Chennai .1 Lattice parameters for pure and Nd3+ doped LHA Figure 2. Madhavan1* 1 2 Department of Physics.CH3COOH. National College.01. The Crystals were subjected to powder XRD Studies. Prathap1. India *Corresponding Author: jmadhavang@yahoo.
.. Optical Materials.INT. REFERENCES Intensity (arb. pp. Kurtz S. Madhavan J.12mW and 438. out of 2 % of the dopant.272.3 UV-Vis-NIR spectrum The UV-Vis-NIR spectrum was recorded in the range of 200 nm .P et al(2008). ‘Growth and Characterization of a new nonlinear Figure 4 Transmission spectrum of pure and Nd3+ doped LHA optical L-histidine acetate single crystals’.2mJ.66 mW. The diffraction patterns of the crystals were indexed . Fig 2. generating about 6mJ per pulse. Academic press. 39.2 Inductively coupled plasma analysis The exact weight percentage of Nd3+ present in doped crystal is determined by ICP analysis.T. 2012. (2007a). 4. The presence of dopant has improved the Nonlinear optical (NLO) properties of the grown crystals and these crystals can be promising material for nonlinear device fabrication.units) (0 0 1) (-2 0 1) (-1 0 1) (2 2 1) (1 0 0) (3 -1 1) (-2 2 2) 0 .1 & 3.1 & 2. San Diego. Praveen Kumar. K. Powder XRD studies were carried out. NEW. 379838l3. J. Aruna S. Variations in the lattice parameters are due to the incorporation of the Nd3+ dopant in the LHA crystal lattice. 1(4). by least square fit method.K. Preema. . 3. Boyd R...units) (1 1 1) (0 -1 1) (-1 2 2) (0 -2 1) 60 (0 1 2) (2 0 0) (0 2 0) 90 0 10 20 30 40 Two theeta Figure 3. 1211-1216. The spectrum further indicates that the pure crystal has a wide optical transmission window from 254 nm to 1672 nm 3.7 times respectively higher that of KDP.C etal and Lashmana Perumal C. NLO studies proved that the metal dopant have increased the efficiency of pure LHA. Vol. 3. 447-448 Research Paper Prabhakaran et al _______________________________________________________________________________________________ Figure 3. The SHG efficiencies of pure and doped crystals are 3 and 4. shown in Figure 4 From the spectra it is seen that the pure and doped LHA crystals have lower cut off wavelength of 254 nm and 243 nm. Wavelength (nm) Vetha Potheher I. the second harmonic signal (532nm) of 91. (1968)... J. The pure and doped LHA crystals are transparent in the entire visible region. pp. The result shows that only 1.W. and Sagayaraj P. the Nd3+ has increased the efficiency of pure LHA. Anuradha A. 29.2000 nm using Varian Carry 5E model. 10mg of fine powder of the doped LHA crystal was dissolved in 100ml of triple distilled water and the prepared solutions were subjected to ICP analysis.4 NLO studies The nonlinear property of the grown LHA crystal was tested by passing the output of Nd : YAG Quanta ray laser emitting 1064 nm. Phys. Thus.2 Powder XRD pattern of Nd3+ doped LHA 100 LHA 80 Nd LHA 3+ Transmittance (%) 60 40 20 (-3 1 0) 30 Table 1 is well matched with the reported literature values. 448 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Appl. CONCLUSION Good quality single crystals of pure and doped LHA were grown by slow evaporation technique. Prem Anand D. and have minimum absorption.2 shows the Powder XRD pattern of pure and Nd3+ doped LHA crystal.2 Photograph of Pure and doped LHA 250 (-1 1 2) 200 150 (0 -1 1) (2 0 0) (-2 1 2) (1 3 1) 100 50 0 10 20 30 40 Two theeta Figure3.39mW were obtained for KDP pure LHA and Nd 3+ doped LHA respectively. 1992.. and Perry T.. Xu Dong et al 1983. For a laser input of 6. Crystal Vol. Inductively coupled plasma studies shows that the amount of dopant incorporated into the doped crystal is less than the concentration of the dopant in the corresponding solution. Nonlinear Optics. INN..2 % of Nd3+ is present in the sample. et al (2006)] -20 400 800 1200 1600 2000 .1 Powder XRD pattern of pure LHA 120 Intensity (arb. and the lattice parameters are calculated. Thamizharasan K.
Fig 2.. 3) was recorded using Siemens D500 X-ray diffractometer with Cu K α (λ = 1. INN. Table 1 shows the calculated unit cell parameters. the knowledge of studying the properties is very important since Lalanine can be considered as the fundamental building block of more complex amino acids. Solubility curve of LA 449 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Keywords: L – Alanine. but also to realize the technological applications . Aruna1. The resulting solubility curve is shown in fig.com Abstract: Single crystal of nonlinear optical L – Alanine (LA) of dimensions up to 12 x 11 x 9 mm3 was grown by slow evaporation method. Madhavan1* 1 2 Department of Physics. such as optical switches. using KBr pellet on BRUKKER IFS FT-IR Spectrometer. XRD. 1. Arulmozhi1. Nonlinear optics (NLO) is one of the few modern scientific frontiers where the interest is not only for understanding of new physical phenomena. Second harmonic generation efficiency and FTIR spectroscopy. FTIR. S. Unit cell parameters of LA Lattice Parameters a b c Spacegroup Crystal System LA 6.1 X-Ray powder diffraction analysis To identify the synthesized salt. Photograph of as grown single crystal is shown in figure 2. 1(4). Pari2 and J.5418Ǻ) radiation. The FT-IR Spectra of crystal is shown in Figure 4. Although its second harmonic generation (SHG) efficiency is about one-third that of potassium dihydrogen phosphate (KDP). offering an opportunity to use theoretical modeling coupled with synthetic flexibility to design and produce novel materials. 2012. India Department of Physics. electro optical devices.2 Infrared Studies In order to qualitatively analyze the presence of functional groups in LA. National College. 3. Chennai – 34. 1.INT. J. Optical quality crystal with dimension of 12 x 11 x 9 mm3 has been grown over a typical growth period of 3 weeks. CHARACTERIZATION 3. NEW.1 Solubility Test The solubility of LA in water was determined by saturating the solutions at high temperature and then slowly cooling the solution in the presence of precipitated solid to maintain equilibrium and then sampling and analyzing the solution at defined temperatures. optical modulators optical bistable devices. As grown single crystals were then characterized by X-ray powder diffraction studies. FT-IR spectrum of the LA crystal was recorded in the range 400 cm-1 to 4000 cm-1. S.784Å P212121 Orthorhombic 2.032Å 12. 449-450 Research Paper ISSN:2277-4459 SINGLE CRYSTAL GROWTH AND CHARACTERIZATION OF THE NONLINEAR OPTICAL CRYSTAL OF L. Organic materials have been of particular interest because the nonlinear optical responses in this broad class of materials is microscopic in origin. CRYSTAL GROWTH Single crystal of LA was grown from saturated aqueous solution of the salt LA by the slow evaporation technique. India *Corresponding Author: jmadhavang@yahoo. The sample was scanned for 2θ values from 10˚ to 70˚ at a rate of 2˚ /min. Trichy – 01. INTRODUCTION Nonlinear optical (NLO) materials are attracting a great deal of attention because of their use in optical devices. SHG 1. Loyola College.ALANINE (LA) A. Photograph of as grown LA 3. Table1. X-ray powder diffraction pattern of LA (Fig. Fig 1.The title compound is the smallest molecule among the amino acids.343Å 5.
D. Ramasamy.784Å. The SHG signal of 190 mW was obtained. Phys. INN. 2012. S. J.S. Fig 3.in the crystal lattice.. Bhagavannarayana..5 times that of standard potassium dihydrogen phosphate (KDP) crystal. R. Packium Julius.moieties is the additional major force in the crystal lattice. Appl. CONCLUSION A nonlinear optical crystal LA is grown by slow evaporation technique which crystallizes in the Orthorhombic space group with a = 6. J..T.343Å. Physica B. REFERENCES . Madhavan. Assignments of FTIR spectrum of LA Wave number (cm-1) 3083 . Madhavan. The stretching of COO. Ginson P.2603 3000 2200 . NEW. Vol. 1(4). VinayRajMenon. it is evident that the hydrogen bonding due to NH3+ and COO. N.Sagayaraj. X-ray powder diffraction pattern of LA In the higher energy region. 379838l3. S. M. Ramesh Babu. Joseph. and P. The CH2 bends appear as well-resolved sharp peaks at 1361.INT. The symmetrical NH3+ stretch is observed to give a less intense peak at 1519 cm-1. J. Aruna.45cm-1 as they do not contribute to crystal-packing forces. 449-450 Research Paper Aruna et al _______________________________________________________________________________________________ 3. Palanichamy. pp.97 and 1455. 405(2010)192 . Rajasekaran. (1968). J. J. Selvakumar. There is a fine structure in the lower region of the band due to hydrogen bonding of NH3+ with COO. Vijayan. Crystal Growth 293 (2006) 409–414 . which confirms higher SHG efficiency. The bands due to CH stretching modes appear just below 3000cm-1. c = 5.032Å.gets overlapped with the NH3+ asymmetric stretching mode. The conversion efficiency of the LA crystal is found to be 1. K. The output radiation for LA in Kurtz powder technique shows a higher output power. b = 12. 450 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . 39. The generation of the second harmonic was confirmed by the emission of green light (532 nm). P. Prabha. Crystal growth and Design 6(2006) 2441 – 2445 . Kurtz S. From this study. G. The sharp intense peak at 2112 cm-1 is due to the combination of NH3+ asymmetrical stretching (1620 cm-1) and its torsional oscillation. FTIR spectrum of LA 4. The enhancement of transmittance and NLO properties of the grown LA crystal proves it to be a potential material for SHG device applications. The standard potassium dihydrogen phosphate (KDP) crystal gave a SHG signal of 130mW per pulse for the same input energy. P. there is a broad intense band due to the NH stretch of NH3+. Gopalakrishnan. 100 Table 2.3 NLO studies The SHG intensity of LA was determined by powder technique of Kurtz and Perry  in which the second harmonic output was generated by irradiating powder samples of randomly oriented crystallites.2000 1620 1519 1362 1306 649 Assignments NH3 stretching frequencies CO presence of C=O stretching and O-H stretching NH3+ asymmetric deformation and NH3+ hindered rotation Presence of -NH2 group symmetric NH3 deformation COO – symmetric stretching CH deformation NH2 Wag (out of plane) + 80 Transmittance (%) 60 40 20 0 4000 3500 3000 2500 2000 -1 1500 1000 500 Wavenumber (cm ) Fig 4.R.Sankar.K. and Perry T. Sagayaraj J.
the presence of this peak cannot be clearly resolved from the background noise. optical and morphological properties of chemical bath deposited Cu doping CdS films have been investigated. SEM analysis confirmed the morphological structure of Cu doping CdS thin films.com Abstract: The Cu doped CdS films were grown on glass substrates using chemical bath deposition (CBD). J. Ariyalur – 621713. The diffraction peaks appear enlarged by a low grain size and/or a thin sample presenting a broad noisy background. sputtering .01M cadmium chloride. In Fig. Government Arts College. electrodeposition  and CBD [13-16] has been to grow this material. 3. XRD patterns of the film as shown in Fig. Copper is reported to be incorporated as interstial donors and mobility of interstitial Cu atoms is known to be very high . CBD is known to enhance the performance of cadmium sulfide window used in solar cell applications [7. The optical conductance and band gap indicated that the film is transmitting within the visible range. Although in other techniques have been used in the deposition of CdS.Rajathi1 and K. low cost and inexpensive large area deposition technique . which indicates that reaction has been initiated. Simple equipments like hot plate with magnetic stirrer are needed.05x1018(lines/m2).INT. This decrease in the band gap of Cu:CdS thin films content can be related to the slight structural modification and surface morphology and it may be supposed that the copper ions from the deposition bath can replace either substitutional or interstitial cadmium ions in the CdS lattice. Thin films. It was observed that the band gap decreases with increases in film thickness and increase in the copper ion concentration in thin films. the band gap (Eg) values can be calculated by plotting (αhυ) 2 axis: Eg=2. CdS have been used as a window material in high efficiency thin film solar cells based on CdTe and Cu (In. Keywords: Chemical bath deposition. The absorption coefficient (α) =0.Ga)Se2 (CIGS) [4.1294x105cm-2(λ=500nm) and extinction coefficient (k) = 0. It is interesting to note that irrespective of the chemical bath. The CBD method is presently attracting considerable attention. The band gap explained in terms of the smaller grains in nanometer scale present in as deposited layers. Cu:CdS thin films are deposited by CBD in an aqueous solution.. EXPERIMENTAL The Cu: CdS thin films were deposited onto glass slides from an aqueous solution chemical bath containing 0. which is used as an efficient window layer for the fabrication of superstrate type solar cell structure due to its high transmitivity and low resistivity [2. The structural. evaporation .39V. spray .05(λ=500nm) are calculated. 2. 451-452 Research Paper ISSN:2277-4459 STUDIES ON THE PURE AND Cu. 2012. Cu doping CdS films deposited with CBD technique are good conditions. INTRODUCTION Chemical bath deposition (CBD) is known to be a simple low temperature.5]. Initially. strain(ε)=6.05M thiourea and 0. 1(4).3]. A similar behavior was observed in sample. The bath containing cadmium chloride (CdCl2). Using the size of the crystallites (D) =4. number of crystallites per unit surface area(N)=5. 2. Cu-doping. INN. The peak appears at 48.26 in the films has been determined. After 451 80min having good adherent property. The optical band gap values of Cu doped CdS thin films were calculated using the relating absorption coefficient with the wavelength.DOPED CdS THIN FILMS FOR SOLAR CELL APPLICATIONS S.81x1021(m-2). Perambalur – 621212. It has also been used in other applications including electronic and optoelectronic devices . 0. which can be assigned to the (103) plane of the CdS hexagonal phase. good morphology and its optical property in the visible region is compliant to the requirements of solar cell applications. The optical properties have been studied in the range of wave length 300-1400nm from the measurements of the optical transmission (T). India *E-mail:selsphy@yahoo. Varies techniques such as. NEW. Thanthai Hans Roever College. The plotted graphs show the optical characteristics of the film which varied with the wavelength and the photon energy. CdS is a wide band gap semiconductor. The optical properties and structural properties of the Cu:CdS films were investigated. Characterization 1. a clean and colorless solution was obtained which turned to clear yellowish solution.16.5H2O). RESULTS AND DISCUSSION The optical transmission spectra of CdS films have been shown in Fig. a uniform yellowish film with the thickness of 712nm was obtained. 8]. micro strain number of crystallite per unit area and stacking fault probability were evaluated from the X-ray diffraction data.96nm. 1. Crystallite size. thiourea (CS (NH2)2) and copper sulphate (CuSo4. dislocation density. as these do not require sophisticated instrumentation like vacuum system and other expensive equipments. 3. dislocation density (δ)=4. India 2 Department of physics.97x10-2 and stacking fault probability (αs)=27. The CBD CdS films present high transmission in the visible range. the grain size smaller and the defects like dislocation density and strain in the films increase with INTERNATIONAL JOURNAL OF NEW INNOVATIONS .05M copper sulphate.Selvaraju2* 1 Department of physics.
139 (1992) 1880. J. J.  I. H.Keane. J. D. 20th IEEE. T.Castro-Rodriguez.Ferekides.Benhida. 1(4). D.. Appl. Z.Enmer.  M. W.  A. proceedings of the 17th European Photovoltaic Solar Energy Conference. O.Swartzlander.I. S.M. INN. J. R.Ramanathan.Oladeji.Soc.Dehart. Chem. T. P.Solis-Canto.Energy Mater.  K.1979.Pier.Potdevin.INT. Fig. CONCLUSION The Cu:CdS thin films have been successfully deposited onto glass slide using chemical bath deposition technique.Herrero. D. SEM analysis confirmed the morphological structure of Cu:CdS thin films and it was observed that the doping level of Cu ion CdS increased the size of the grain and morphology changed in a significant manner. NEW.Rieke.Electroche.  X.Oliva. Thin Solid Films 516(2008)7306 .Gordon. The optical band gap is 2.Cells 57(1999)167.subba Ramaiah.Wu.Lanning.  M. J. J. B. J.Noufi.Bentjen.J. the morphology differs in a significant manner.C.Levi. K. J.  J.Dona. Sol. conf. The XRD analysis reveals that the deposited films were composed of Cu:CdS.  K. Isc. Lee Chow.K. R. The investigation revealed that Cu doping CdS thin films have suitable structure as well as optical parameters in the view of solar cell applications.Chow.Soc.Ramanathan. A. 4. D.Pouzet.Essadi.Fridefeld. J. 3: X-ray diffractogram ofCu:CdS thin films Fig. Germany.Eberspecher. Scanning Electron Micrograph of Cu:CdS thin films 452 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .7(1999)311. The CBD grown Cu:CdS layers under given deposition conditions produce hexagonal plane. Sol.Energy 12 (1992) 247.Forsell. D.Quintana. S.P. R. C. A. Proc.G. Guangyu Chai. P. Int.  R. V. K.Electrochem.Soc.Hiltner. 1: Transmission spectrum of Cu:CdS. J.  I.Rafffaella. Isaiah O. A.Sheldon.Davis.R.Khellil.Electrochem.Bailey.  P. 127 (1980) 943. P-424.Sci.  D.W.146(1999)1046.Albin.Cells 61(2000)203.M. Thin Films Solar Cells. P-1384. Sol.Lorenzo.Cells 32 (1994) 1.Energy Mater.Oladeji. 144 (1997) 4091. J.7312.Chopra. F. M. Sol. 451-452 Research Paper Rajathi and Selvaraju _______________________________________________________________________________________________ film thickness.Contreras. 205(2003)56-64.Viswanathan.dauplaise. The micro strain and stacking fault probability of the films are decreased..198.Master. J.H.Ortega.Appk.Armstrong.Egaas.  J. SEM of film showed irregular distribution of particles with the grain sizes.Hasoon. Munich. A. H.Bernede.Contreras.Energy Mater. Sol. J.Sundara Raja.G.Mantovani.L. Prog. Photovolt: Res. New York.Hepp. L. J. 2012. S.Vaccaro.Lincot.Kaar. 5 (1993) 43.Hubbard. The grain size (1μm-10μm) was measured from SEM photograph by keeping the photograph under travelling microscope having high accuracy. R. S. Photovoltaic spi.Chopra.Sol. Victor Sosa.  A. The Fig.Pandya. S.Zhao.Gessert. October 22-26 (2001)995.Duda.Electrochem. R.Asher. 5. 2: Plots of (αhγ)2 vs hγ for Cu:CdS films Fig. shows the SEM micrograph of the CdS films at different magnitudes.Dhere.M. indicate that when Cu ion concentration increases.P. SR Dav. H.L. C.Soc. 55 Transmittance (%) 50 45 40 35 30 25 20 200 400 600 800 1000 1200 4. E.B.F. REFERENCES  Hani Khallaf.Waters. Sol. K. wavelength (nm) Fig.Pena. Thin Solid Films 208(1992)252. Fig. Thin Solid Films 403/404(2002)204.39eV for this band gap deciding factor for the application of thin films.  K. V.Mitchell.C.  B.Surf.
INT. J. NEW. INN., 2012, 1(4), 453-454
ULTRASONIC VELOCITY STUDIES OF BINARY MIXTURES OF HEPTANE WITH SESAME OIL
P. Kavitha1, S. Kanchana2, M.Balasubramanian3 and Nixon Sebastian3
Assistant Professor, Department of Physics, Indra Ganesan College of Engineering, Trichy Research scholar, Dept of Physics, Urumu Dhanlakshmi College, Trichy 3 Post graduate student, Dept of Physics, Urumu Dhanlakshmi College, Trichy Email: firstname.lastname@example.org
Abstract: Ultrasonic velocities in liquid mixtures of sesame oil with heptanes have been measured as a function of mole
fraction of heptane by using ultrasonic interferometer of frequency of 2MHz at 303K. The measured velocities are compared with those obtained from various theoretical models of liquid mixtures such as Nomoto’s Relation, Collision Factor Theory (CFT), Impedance dependence relation (IDR), Junjie’s Relation and Danusso Relation. Key words: Ultrasonic velocity, mixing rules, mole fraction, molecular interaction.
1. INTRODUCTION The sound velocity is one of those physical properties that help in understanding the nature of liquid state. In recent years, the measurement of ultrasonic velocity has been adequately employed in understanding the nature of molecular interactions in pure liquids and liquid mixtures. Velocity of sound waves in a medium is fundamentally related to the binding forces between the atoms or the molecules. The variation of ultrasonic velocity and related parameters throw much light upon the structural changes associated with the liquid mixtures having weakly interacting components as well as strongly interacting components. Mixed solvents rather than single pure liquids are of utmost practical importance in most of biological, chemical and industrial processes as they provide a wide range of mixtures of two or more components in varying proportion so as to permit continuous adjustment of desired properties of the medium1. The composition dependence of ultrasonic properties of binary liquid mixtures has proved to be a useful tool to investigate the molecular interaction between the components in mixtures2. 2. EXPERIMENTAL Ultrasonic velocity of pure liquids and binary liquid mixtures has been measured using an ultrasonic interferometer (F-80 Mittal Enterprises, New Delhi) of frequency 2MHz (Accuracy ± 0. 1 m/s). The mixtures of heptanes (AR grade) and Sesame oil are prepared by mixing the measured volumes of the components in airtight glass stoppered bottles to minimize the evaporation of volatile liquids. Density measurements are made with Shimadzu digital balance of accuracy 0.0001 g/cc. Velocities have been evaluated theoretically with the help of Nomoto relation, Junjie’s Relation, Collision factor theory (CFT), and Impedance dependence Relation (IDR) and Danusso model. The relations for these models are given here: 453
Nomoto relation: Nomoto3 assumed the linear dependence of the molar sound velocity R on concentration and the additivity of molar volume V m and established an empirical formula for ultrasonic velocity in binary liquid mixtures as
Where R is the molar sound velocity and x1, x2 are the mole fractions of the components in the binary mixture and V is the molar volume. Junjie’s relation: The Junjie’s4 relation for the determination of ultrasonic velocity in binary mixtures is given by
Danusso model: According to Danusso5 model the ultrasonic velocity is predicted using the formula,
Where ρmix is the density of the mixtures and Meff is the effective molecular weight of the mixtures. Collision factor theory: According to Schaaffs,6 the ultrasonic velocity in pure liquid is given by
Where S is the collision factor, B is the geometrical volume and Vm is the molar volume of the liquids and u∞ is the limiting ultrasonic velocity given by 1600 m/s.
INTERNATIONAL JOURNAL OF NEW INNOVATIONS
INT. J. NEW. INN., 2012, 1(4), 453-454 Research Paper Kavitha et al ______________________________________________________________________________________________ Impedance dependence relation: The ultrasonic velocity according to impedance dependence relation7 is given by percentage deviation (APD), which is provided in Table.2. It can be seen from Table 2 that the five theories show deviations from experimental values. The deviations are due to the limitations and approximations incorporated in these theories. The molecules are assumed to be spherical in shape, which may not be true every time. In Nomoto’s theory, it is assumed that the volume does not change on mixing which means that no interaction between the components of the mixture is taken into account. For Heptane and sesame oil system, Nomoto’s model values of ultrasonic velocities are closer to experimental values followed by Junjie’s and Danusso models. But the FLT and IDR values have large deviations from experimental values due to the assumptions incorporated in those theories.
Where X refers to the mole fractions and Z refers to the acoustic impedance of the pure components in the mixtures. 3. RESULTS AND DISCUSSION The suitability of these theories and equations are checked by comparing theoretical values of ultrasonic speeds with the values obtained experimentally as presented in Table.1 The validity of the different theoretical formulae is checked in terms of average
Table1. Experimental and theoretical values of ultrasonic velocity for binary mixtures of heptane and sesame oil at 303 K X1 0.0933 0.2286 0.4554 0.6005 0.6913 0.7491 0.7957 0.8941 Experimental 1444 1422 1398 1366 1360 1332 1290 1244 Nomoto’s 1430 1420 1396 1370 1346 1326 1306 1243 IDR 1413 1377 1311 1263 1232 1210 1126 1153 Junjie’s 1422 1406 1362 1322 1290 1266 1243 1186 CFT 1408 1358 1315 1263 1219 1205 1204 1163 Danusso 1422 1398 1334 1298 1281 1252 1214 1166
Table 2. Average percentage of deviation and chi-square values of ultrasonic velocity for binary mixtures of heptane and sesame oil at 303 K Model APD
Nomoto relation 0.4685 0.5109
Junjie’s relation 3.3555 14.7696
Danusso Model 4.5975 27.4015
CFT 6.6844 58.8968
IDR 7.2032 72.8333
The perusal of the figure 1 implies that the ultrasonic velocity calculated from Nomoto’s model seem to be closer to the experimental values followed by Junjie’s relation and Danusso model. The chi-square values also show closer agreement for Nomoto and large deviation for impedance dependence relation.
4. CONCLUSION The study indicates that almost all the mixing rules employed here, give reasonably good results with allowed induced dipole- induced dipole interaction is observed in the system due to the non-polar nature of heptane. REFERENCES
1. Vadamalar .R. Mani .D. and Balakrishnan .R. Research journal of chemical sciences, volume 1(9), 79 – 82, Dec.(2011). Neeta Sharma, Seema Rana and Anunidhin Sharma, Iranica journal of energy and environment 1 (4): 280-286, 2010. Nomoto, O, Empirical formula for sound velocity in liquid mixtures, Journal of the Physical Society of Japan, 13, (1968) 1528– 1532. Junjie, Z. J. Chin. Univ. Sci. Tech. 1984, 14, 298. Danusso, F., Ultrasonic velocity and adiabatic compressibility of liquid mixtures. Atti della Accademia Nazionale dei Lincei, 10, (1951)235–242. Schaafs, W., Molekularakustik (Springer-Verlag, Berlin, GÄottingen, Heidelberg, Germany, 1963). Shipra Baluja, Parsania, P.H., Asian Journal of Chemistry, 7, 1995, 417-423.
6. Figure 1.Experimental and theoretical Ultrasonic velocity Vs. Mole fraction of heptanes
INTERNATIONAL JOURNAL OF NEW INNOVATIONS
INT. J. NEW. INN., 2012, 1(4), 455-457
STUDY ON MOLECULAR INTERACTIONS IN THE BINARY MIXTURES OF HEPTANE WITH SESAME OIL
Kanchana S1, Suhashini Ernest2, P. Kavitha3 and Jafar Ali K.V4
Research Scholar, Department Of Physics, Urumu Dhanalakhimi College, Trichy,India. Associate professor, Department of Physics, Urumu Dhanalakhimi College, Trichy,India. 3 Assistant Professor, Department of Physics, Indra Ganesan College of Engineering, Trichy, India 4 Post Graduate Student, Department Of Physics, Urumu Dhanalakhimi College, Trichy,India. E-mail: suha_ernest @ yahoo.co.in
Abstract: Densities and Ultrasonic velocities have been measured at 303K, 308K and 313K for the binary mixture of
Heptane with Sesame oil over the entire composition range. From these, the thermo dynamical parameters, isentropic compressibility (Ks), inter molecular free length(Lf) and their deviations namely excess isentropic compressibility (K SE) and excess inter molecular free length (LfE) have been calculated and interpreted in terms of inter molecular interaction. Keywords: Ultrasonic velocity, Heptane, sesame oil, excess parameters, intermolecular interactions
1. INTRODUCTION The ultrasonic study of liquid and liquid mixtures plays an important role in understanding the physicochemical behavior of liquid and their mixtures. Molecular interaction gives more details about the structure of liquids. The ultrasonic velocity gives information about the bonding between the molecule and formation of complexes at different temperatures through molecular interactions. Heptane (, C7H16) is a volatile, colorless, highly flammable liquid hydrocarbon. It is used as an anesthetic and as a solvent. Sesame oil is combustible, yellow, optically active, semidrying fatty oil obtained from sesame seeds and used in edible food products, such as shortenings, salad oils, and margarine. In this work, the ultrasonic velocity measurement in the Heptane-Sesame oil mixture at different temperatures such as 303K, 308K and 313K is made. The acoustical parameters and excess parameters are evaluated to interpret the intermolecular interactions existing between the components of the mixtures.
The intermolecular free length (LF)  is the distance covered by the propagating acoustic waves between the surfaces of two neighboring molecules in the liquid system. It is calculated using the Jacobson’s relation, LF=k/uρ1/2 --------------------- (2) where k is the Jacobson’s temperature dependent constant  given by the relation K= (93.875+0.375T) ×10-8. The excess value of the above parameter is calculated from the equation, AE=AEXP-AIDEAL ------------------- (3) Where AIDEAL =Σ xi Ai and xi is the mole fraction and Ai are the parameters of the ith component in the liquid mixture.
3. RESULTS AND DISCUSSION The experimental values of ultrasonic velocities of different mole fractions and the values of the various parameters namely isentropic compressibility (Ks) ,inter molecular free length (LF) , excess isentropic compressibility (KSE) and excess inter molecular free length (LFE) are tabulated in table 1,2 and 3. 2. EXPERIMENTAL DETAILS The ultrasonic velocities of pure components and When the concentration of the heptane is increased, liquid mixtures are measured by an ultrasonic the isentropic compressibility of the mixtures is found to interferometer (Mittal) at a frequency of 2 MHz with an increase, and hence a decrease in ultrasonic velocity is accuracy of 0.01 m/s. The density of pure liquids and observed (table 2, 3, and 4), since the velocity and mixtures were measured by relative method using 10 ml adiabatic compressibility are inversely related. relative density bottle with an accuracy of 0.001 kg/m3. The variation of ultrasonic velocity in a solution The measurements are made at different temperatures depends upon the increase or decrease intermolecular free such as 303K, 308K and 313K with the help of length after mixing the components. Intermolecular free electronically controlled thermostatic water bath with an length is the distance covered by the propagating acoustic accuracy of 0.01K. waves between the surfaces of two neighboring 2.1Theory and Calculation molecules in the liquid system. On the basis of a model Isentropic compressibility (KS)  is the for propagation proposed by Eyring and Kincaid , fractional decrease of volume per unit increase of ultrasonic velocity should decrease if the intermolecular pressure, when no heat flows in or out of it. It is free length increases as a result of mixing of components. calculated from the equation, This fact was observed in the binary mixture of heptanes with sesame oil at different temperatures. When the Ks=1/ ρu2 --------------------- (1) where ρ and u are the density and ultrasonic velocity concentration of the solvent increases, there is a change in in the liquid mixture respectively. velocity is observed in higher mole fraction of heptanes. 455 INTERNATIONAL JOURNAL OF NEW INNOVATIONS
8339 -3.3048 6.2409 -4.9318 KSE 10 m2N-1 -0.7957 0. inter molecular free length (LF) ..1327 8.7971 6.3387 -1.8931 -3.3724 5.6005 0.7957 0.4690 5.24827 -1. excess isentropic compressibility (KSE) and excess inter molecular free length (LFE) of binary mixture of heptanes with sesame oil at 313K.8665 7.9251 4.0933 0.5948 -1.5983 5.3000 Fig.7491 0.4865 5.0649 6.5015 5.5871 -3.3221 -1.4449 -2.8941 u( m/s ) 1444 1422 1398 1366 1360 1332 1290 1244 KS 10 m2N-1 5. inter molecular free length (LF) .0575 5.7491 0.0713 -1.2354 -1.6851 -3.24557 -0.0821 KSE 10 m2N-1 -0.8941 1.8941 u(m/s) 1402 1390 1370 1313 1301 1259 1237 KS 10 m2N-1 5.17365 -1.3144 8.4554 0.49117 -0.5643 -3.1357 -0.6913 0.5305 8.5734 -3.9363 5.INT.54623 -1.3963 -1.2892 -10 LF 10-11 m 5.0000 0.4119 KSE 10 m2N-1 -10 LFE 10-11 m -0.95162 -1.6734 -1.1913 -10 LFE 10-11 m -0. Molar fraction x1 0.5447 Table 3: Ultrasonic velocity. 2 Intermolecular free length Vs.2513 -1.5417 5.0933 0.9718 5.5839 6.0425 -4.7822 7. excess isentropic compressibility (KSE) and excess inter molecular free length (LFE) of binary mixture of heptanes with sesame oil at 308K. excess isentropic compressibility (KSE) and excess inter molecular free length (LFE) of binary mixture of heptanes with sesame oil at 303K Molar fraction x1 0.2286 0. Mole fraction INTERNATIONAL JOURNAL OF NEW INNOVATIONS .2286 0.0000 u (m/s) 1418 1411 1400 1384 1360 1332 1314 1276 1240 1091 KS 10 m2N-1 5.7329 -3. 1 Isentropic compressibility Vs.0231 7. mole fraction 456 Fig.0033 -1.2286 0.6626 6.8964 4.3538 5.0862 -4. Molar fraction x1 0. inter molecular free length (LF) .0225 5. J. isentropic compressibility (Ks) .2060 -0.3101 -3.0098 7.7957 0.13064 -1.7914 6.6594 6.6913 0. 455-457 Research Paper Kanchana et al _______________________________________________________________________________________________ Table 1: Ultrasonic velocity.7675 -3. NEW.21962 -0.5332 5.2943 -1.4554 0.0387 5.8453 4.2390 12.4051 -1.1721 -10 LF 10-11 m 4. INN.7316 5.2666 5.2630 -1.02283 Table2: Ultrasonic velocity. isentropic compressibility (K s) .6386 5.1868 5. 1(4).9167 6.1385 5.4554 0.6528 5.1211 -4.2202 -1.7744 -3.7243 -3.4997 -1. isentropic compressibility (K s) .2102 5. 2012.5317 -10 LF 10-11 m 4.0933 0.0725 -10 LFE 10-11 m -0.6913 0.4036 -2.7620 4.1368 6.6571 7.4527 5.6005 0.7491 0.1101 5.
5 (1951)1214. The molecular interaction has been analyzed in terms of acoustical parameters. Acta Chem. KSE and LFE values are negative over the whole concentration range for all different temperatures. The negative KSE values may be regarded as due to the presence of dispersion and dipolar interactions between unlike molecules. .Chem. Acta Chem.D. Scand. Eyring B.21B(1962)593. J. such as Heptane have weak intermolecular attractions due to dispersive forces. 3. INN. 6(1938)620 457 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . J.F. and Pandey J. REFERENCES 1. Jacobson B. 455-457 Research Paper Kanchana et al _______________________________________________________________________________________________ Fig. Lavoisier. . . Sci. Fig. Ed. Oils & fats manual. Prakash S.. 4 Excess free length Vs. Kincaid J.. CONCLUSION In the present investigation. Res. 1(4)..INT. 2. intermolecular interactions between the Heptane and sesame oil are studied. Jacobson B. mole fraction The excess thermodynamic parameters such as excess isentropic compressibility (KSE) and excess inter molecular free length (LFE) are very useful to understand the intermolecular interactions in binary mixture. Karleskind A. The magnitude and sign of excess isentropic compressibility is the reflection of the type of interaction taking place in the mixture. The negative values indicate that the ideal mixtures are more compressible than mixtures. The existence of weak dispersion forces between the components of the mixture is reported.Phys. 2012. mole fraction 4.. Non polar liquids.. (1996) A comprehensive Treatise. .. NEW. 5. 6(1952)1485 4.. Scand. Paris. J. The negative values of the excess intermolecular free length (LFE) may be due to the interstitial accommodation of the solvent molecules in oil. 3 Excess compressibility Vs. Indus.
NEW. 3. The optical property was analyzed by UV-Vis Spectroscopy. EXPERIMENTAL SnO2 was synthesized using analytically pure reagents from Merck Chemicals. 3]. SnO2 is a particularly interesting study because it exhibits exceptional optical. optoelectronics and catalysis.696. SnO2 nanoparticles have been synthesized by many methods such as thermal evaporation [2. β = FWHM of the peak with higher intensity. The crystal structure of the synthesized products was examined by X-Ray diffraction (XRD) measured with Cu-kα radiation. both theoretically and experimentally. nanoparticles. X-ray diffraction analysis shows that the obtained particles are in the tetragonal phase. Tin oxide with its wide band gap. This property makes it an ideal solid state gas sensor for predominant sensing and monitoring of gases like CO. INTRODUCTION Metal oxides are promising candidates that have been extensively studied. As-prepared SnO2 powder exhibits an intense very broad peak ranging from 2200 to 3600 cm-1. Using a simple hydrothermal approach. INN. c=3. UV-Vis. 12] and other techniques.75eV. CVD [11. J. In a distinctive procedure.. SEM. 21]. dielectric and photoconductivity studies we have suggested its possible applications as gas sensors. which is larger than the value of 3. chemical and electrical properties and also is regarded for its high thermal stability . has received special attention from many technological fields and scientific areas because of its wide potential. India Abstract: Tin oxide.The band centered at 1681.INT.38 and 2827. 458-460 Research Paper ISSN:2277-4459 SYNTHESIS AND CHARACTERIZATION OF TIN OXIDE NANOPARTICLES BY HYDROTHERMAL METHOD Alison Christina Fernandez.89 λ / β cosθ Where λ = wavelength of the X-Rays (1.4g of tin chloride dehydrate in double distilled water. The bands at around 764. 2012. The surface morphology of the as458 synthesized product was observed by Scanning electron microscopy (SEM).24 cm-1 were attributed to Sn-O stretching modes of Sn-O-Sn and Sn-OH respectively . To the above solution 0. hydrothermal 1. The optical properties were studied using UV-Visible spectrophotometer and consequently the energy band gap of SnO2 is reported. INTERNATIONAL JOURNAL OF NEW INNOVATIONS . an n-type band semiconductor. The FTIR transmission spectra of tin oxide synthesized is shown in the figure 3.65 cm-1 which may be due to the adsorbed water and NH3.78nm which is blue shifted and the corresponding band gap energy calculated is 3. The synthesized sample is composed of JCPDS 21-1250 data of SnO2 with tetragonal phase.6eV for the bulk SnO2 . H2 [13-17] and LPG . As an n-type semiconducting metal oxide. NO. Joe Jesudurai Loyola College. The obtained powder was further characterized and the results have been discussed in the light of literature.[Eg ≈3. The peak around 1400 cm-1 was assigned to NH stretching vibration from decomposition of urea[20. which was stirred till the solution became transparent. with two maximum at 3192. Detailed analysis to the presence of OH groups as well as other organic and inorganic elements were carried out by Fourier transformed infra red spectroscopy. Having investigated its various properties by XRD. we have synthesized SnO2 nanoparticles. The prepared solution was then transferred into a Teflon lined autoclave which was maintained at 180°C for 2 hours and 30 min. hydrothermal [7-10]. It is observed that the average size of the SnO2 nanoparticles calculated is 70nm. RESULTS AND DISCUSSION The formation of SnO2 nanostructures was confirmed by the use of XRD.171.18 and 574. Figure 1 shows the X-Ray diffraction spectrum of the SnO2 nanoparticles. θ = diffraction angle. exhibits high sensitivity to reduce as well as oxidize gases.2M of Urea was added under continuous stirring for 90 minutes. Keywords: Tin oxide. The Dielectric property and conductivity of the sample were also measured. SnO 2 was prepared by taking 3. 2. All the diffraction peaks can be indexed to the tetragonal phase of tin oxide with lattice constants a=b= 4.57 cm-1 may also be related to water.In this paper we present the synthesis of SnO2 nanoparticles by the hydrothermal method. The grain size for the sample was calculated from XRay diffraction data by using Scherer’s formula D = 0. Sol-gel [4-6]. It is known for its strong physical and chemical properties which have made the material attract much attention in various fields especially gas sensing. The sample exhibited an absorption edge at 331. Figure 2 shows the optical absorbance spectra of the as-synthesized SnO2 sample annealed at 600ºC for 3 hours. The autoclave was then cooled to room temperature [Ph – 5] and the obtained precipitates were washed several times with double distilled water and acetone to remove impurities and then annealed at 600°C for 3 hours. 1(4).5406 A°).6eV].
2: UV–Vis absorption spectra of the as-prepared sample FTIR SPECTRUM Date: 1/10/2012 Spectrum Name: S6.55 15.0 4000.23 1197.21 10 3192.38 14.55 0.854 x 10-12 F/m).52 764. is the dielectric permittivity of vacuum (8. C the capacitance and A the area of cross section of the sample.28 2000 58. INN.24 83.74 3824.19 3192.INT.00 Figure 7: I-V measurement for SnO2 nanoparticles Figure 4 represents the SEM analysis of tin oxide prepared by hydrothermal method.00 14. NEW.18 73.57 16.18 907.It is seen that the INTERNATIONAL JOURNAL OF NEW INNOVATIONS .24 70 764.96 3824.57 1197.33 574. 2012.33 600 3933.18 60 907.00 %T 10 1.s p 1801 4000.. Dielectric studies of the prepared pellet of the synthesized SnO2 nanoparticles were carried out to analyze its response to an applied low AC voltage.pk Figure 3: FT-IR spectra of the synthesized SnO2 nanostructures REF 4000 99.55 50 %T 40 30 20 2827.sp 100.96 89.0 S6. 1: XRD pattern of the obtained product Figure 5: Variation of dielectric constant with frequency ACIC St.55 63.65 1401.00 400. 458-460 Research Paper Fernandez and Jesudurai _______________________________________________________________________________________________ Fig.21 28.0 Figure 6: Variation of dielectric loss with frequency 90 3933. The Dielectric constant was calculated by using the formula: where.65 19. The methodology of SnO2 reflects large cube shape and spherical particles. d is the thickness of the sample.77 4.Joseph's College ( Autonomous ) Trichy-2 Fig.74 186. is the relative permittivity of the material which is a dimensionless quantity. The variation of with temperature at various frequencies is shown in figure 5. 1(4). Figure 4: Low-magnification SEM image of the as-synthesized SnO2 nanoparticles 459 .73 1681.69 92.38 1681.14 S6. J.69 80 574. the formation of cubic structures could be due to the oriented growth aggregation of nanoparticles.19 1401.74 2827.0 3000 2000 cm-1 1500 1000 400.
1(4). Q. Lett. 965–968. Y. and A. Chang L. XS Ye. 2000. 1990. SEM images revealed that the structure exhibited a single-crystalline nature and many lattice defects existed in the nanopowder. Choi S P. Longo. 17. Hu. Nanotechnol. Zaban. Sreejarani K Pillai. Actuators. Park J S. C. Moulson. Jayaprakash. Zhang.. J. 13. 460 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . M. 1999. Park Y J and Song H J 2003 Solid State Commun. Chapman & Hall. 7. 582 (1970).Duc Vuong Dang and Duc Chien Nguyen. Sci.. R. 2008. 4. 3437-3440. Mater. Li. 1 (2010) 19. 62. A. 1999. Lucky M Sikhwivhilu. P. Koltypin.. 2012. no. Wang. 20. 380-383. Ngoc Long Nguyen (2010) Adv. New York. H. Varela. Li. 119. no. Gedanken. 66 142 11. 60. Chem. Yang H. Kang. 64-70. Herbert.. pp. Song. Lett. 42. The samples were analyzed by XRD. 1.. The characterization reveals that the samples have a tetragonal structure. B Chem. Egashira. S.. Pang X. Boon-Teck HENG. H. Kumari. 87 10 10. 61 1424 9. T. Perumal. Lü M K.. 127 595 13. 283-289. A. 15. 18. A. J. We suggest that both RDP and SCP process contribute to the enhancement of dielectric response of the SnO2 nanoparticles.INT.. Japan. Nat. Quang Trung Khuc. Sens. Zhu H. A. Ma. SEM. Shin D C. ZG Jiao. Krishnakunar. Nat. J. Bando Y and Golberg D 2003 Chem. 537 – 550. Yang D. Shimizu. B Chen. INN. Yu Q. T. Muhammad Akhyar FARRUKH.: Nanosci. Tu Huy Anh Ly. Gu F. Xu J. R. Pang. Our results demonstrate that SnO2 nanostructures are very promising for fabricating sensors as well as other devices. The measured current-voltage behavior is linear as expected since dielectrophoresis is effective on conductive elements. The Loss tangent is seen to decrease with increase in frequency. 2001. I. K. Shang et al. M. 18-22. Journal of Physical Chemistry B. S. Miao H. 21. J.. and J. CONCLUSION In summary. 12. Li X. K. pp. LD Zhang. 6. Feng.. Thembela K Hillie Journal of Nanoscience and Nanotechnology(submitted) 23. X. H. Thanh Binh Nguyen. Phys. X. REFERENCES 1. 2006. 16. Phys. Li M and Zou G 2007 Mater. 3823–3826. G. Sens. The optical band gap of SnO2 nanostructures are blue shifted compared with the bulk SnO2’s band gap due to the quantum size effect. Ding C and Luo H 2003 Microelectron. Nano Letters.: Nanosci. FTIR. 2000. J. 42. Figure 6 shows the frequency temperature dependence of dielectric loss for SnO2. E. 458-460 Research Paper Fernandez and Jesudurai _______________________________________________________________________________________________ dielectric constant decreases with frequency. 22. Advanced Materials. 510. G. vol. Lett. Leite. Eng. Hu J Q. vol. Thi Thanh Binh Le. Aoki. Yu G. Zhang J and Gao L 2004 Mater. Xu D and Yuan D R 2004 J. Y. Kawi. no. 12. Jeong J. Pinna. Electroceramics. Sasakura. Chen. Rohana ADNAN Turk J Chem34 (2010) . 1999. E. The optical properties of the SnO2 nanostructures were studied. we synthesized SnO2 nanostructures by a simple hydrothermal process. Y. 2002. B 108 8119 5. 15. G. 1 2. NEW. Y. J Sha. Adv. Nanotechnol. 4. Wang S F. C. Li C and Hua B 1997 Thin Solid Films 310 238 12. Chang C I. N. Zhu H.. 24. 372 758 3. 106. It is well known that the rotation direction polarization (RDP) and space charge polarization (SCP) contribute to the enhanced dielectric behavior of nanomaterials. UV and conductivity studies. vol. B Chem. 723 – 726. pp. Mater. M. S. MRS Bull. Appl. Conductivity characteristics were measured by a voltage range over the contacts and simultaneously measuring current and voltage at the connected contacts. Lett. Lee B T.. Weber. N. Xuan Hien Vu. S. Zhou G J. Science China. 14. J.. L. Yang. Phys 9. Zhang H and Yao K 2006 Nanotechnology 17 2386 8. Actuators. G. Chem. J. K. Sci. Phys.
INT. Department of Physics.0 0. Thus a large variety of glycine coordinated compounds can be formed.2 1. Thoothukudi-628 001. have enabled exciting new ways to control light and construct integrated optical devices.4 1. The crystals were highly transparent and free from inclusions. Photonic crystals. AgNO3 and LiNO3 to form single crystals. The range and percentage of optical transmission was ascertained by recording UV-Vis-NIR spectrum. TamilNadu. GROWTH AND STUDIES OF DIGLYCINE SODIUM NITRATE SINGLE CRYSTALS B. The synthesized salt of DGSN was finely powdered and was used for solubility study. which crystallizes in noncentrosymmetric structure. NEW. solubility and growth of DGSN single crystals DGSN salt was synthesized by taking analar grade glycine and sodium nitrate in the ratio 2:1. VOC College. 461-463 Research Paper ISSN:2277-4459 SYNTHESIS. The growth of crystals was confirmed at pH 5. 30.45. 35. The formation of DGSN crystal was confirmed by powder XRD analysis. These crystals were characterized by single crystal X-ray diffraction.6 30 35 40 45 0 50 55 Temperature( C) Fig. The Glycine molecule can exist in zwitterionic form and hence it is capable of forming compounds with anionic. Thoothukudi-628002. slow evaporation method was employed. X-ray diffraction. It has been reported that glycine combines with H2SO4 . EXPERIMENTAL 2. Photograph of DGSN single crystal INTERNATIONAL JOURNAL OF NEW INNOVATIONS .1. The second harmonic generation behavior of DGSN crystal was tested by Kurtz-Perry powder technique and its mechanical hardness was estimated by Vickers micro hardness method. UV-Vis-NIR transmittance analysis. β and γ. Tiruchendur-628216. J..S.Tamil Nadu.1.Helina1. India. Email: helinab2009@yahoo. The author report in this article on the estimation of solubility and growth of DGSN crystals from aqueous solution by slow evaporation method.Lucia Rose3 2 1 Department of Physics. 2. The same procedure was repeated to estimate the solubility at different temperatures. which prohibit the propagation of light for frequencies within a band gap.Selvarajan2 and A.40. P.8 1. St. viz. 3 Department of Physics. FTIR. cationic and neutral chemical compounds.2 2. INN. Glycine (NH2-CH2-COOH) is one such amino acid that crystallizes in three different forms α.defined morphology was grown over a typical growth period of 35 days. India. The variation of solubility with temperature is shown in Fig.50 and 55oC. Solubility at a particular temperature was determined by dissolving the 461 synthesized salt in 100ml of double distilled water taken in an airtight container maintained at the same temperature with continuous stirring. But none of the reports were available on the growth and characterization of Diglycine Sodium Nitrate (DGSN) single crystals. The title compound was synthesized and purified by repeated recrystallization process. However.in Abstract: Single crystal of Diglycine Sodium Nitrate (DGSN) a new semi organic non-linear optical material has been grown from solution by slow evaporation method at room temperature. BaCl2 .India. Good quality of crystals with well.J. Powder XRD. After attaining the saturation. The solubility of DGSN was determined for six different temperatures. only those complexes of glycine.2. Keywords: Characterization. To grow single crystals of DGSN. are expected to exhibit nonlinear optical second harmonic generation.4 2. Tamil Nadu.8 0. 2.1 Synthesis..Mary’s College. SHG efficiency studies and Vickers micro hardness studies. The crystals were characterized by single crystal X-ray diffraction and Fourier transform Infrared Spectroscopic (FTIR) analysis.6 1.0 Solubility(g/100ml) 1. Aditanar College of Arts and Science. 2012. Vicker’s hardness 1. the equilibrium concentration of the solute was estimated gravimetrically. Solubility curve of DGSN Fig. Nonlinear optical. INTRODUCTION Amino acids and their complexes belong to a family of organic materials that have been considered for photonic applications . 1(4).
7]. FTIR studies Every chemical compound has its own characteristic IR spectrum. In this study.2. The FTIR spectrum contains the entire information about the molecular structure of the investigated sample. transparency cut-off and the absorbance band are important parameters to tailor the material for specific application. the optical transmittance range. The study was carried out for DGSN crystal using X’PERT PRO Diffractometer with copper (K-Alpha 1) radiation (=1. Using the formula.3 UV-vis-NIR spectral studies Single crystals are mainly used in optical applications. = = 900. The presence of -NO2 group in DGSN is confirmed by the absorption peak at 13001390cm-1 and at 1530-1600cm-1.1.2(1) The obtained structural results in this work are found to be in good agreement with the reported values[6.5. Fig. The well-defined Bragg’s peaks at at specific 2 Angles show high crystallinity of DGSN.3. respectively. Powder XRD pattern of DGSN crystal 462 INTERNATIONAL JOURNAL OF NEW INNOVATIONS (320) (020) . J. c = 5.The sharp peak at 679cm-1 is due to COO+ scissoring. INN.4.474(2) Å.u. Eg=hc/.INT.039(3) Å. The FTIR spectrum of DGSN crystal is shown in Fig. FTIR spectrum of DGSN 3. The sharp band observed at 1592cm-1 is due to asymmetric deformation of NH3 + The sharp absorption bands at 1483 and 1392cm-1 correspond to the CH2 bending vibration and C=O asymmetric stretching vibrations. The band at 2176cm-1 is the combination band of NH3+ degenerate and NH3+ torsion. b = 7. the band gap energy was found to be 4.The peak observed at 3106 cm-1is due to NH3+ asymmetric stretching vibration and at 2601 is due to NH2 stretching vibration. From UV spectral analysis the cut-off wavelength is found near 286nm and the transparency in the entire visible region for this crystal suggests its suitability for second harmonic generation. DGSN belongs to the noncentrosymmetric hexagonal system and the obtained crystallographic parameters are a = 7. The indexed X-ray powder diffraction patterns of DGSN are shown in Fig. 4000 3500 3000 2500 Intensity(a. The UV-vis-NIR transmittance spectra of DGSN indicate the complete transparent character of the material in the entire UV-visNIR spectrum shown in Fig. the FTIR spectrum was recorded in the range 400-4000cm-1 for the DGSN single crystal. The prominent peaks in the XRD pattern have been indexed. = 1200 and V = 234. UV-Vis-NIR transmittance spectrum of DGSN The crystal is well polished and the specimen 2mm thickness was subjected to transmission measurements using Lambda 35 UV-Vis-NIR spectrophotometer in the spectral region of 300-1100nm. 2012.60/min over a 2 range of 0-700 employing the reflection mode for scanning.34eV.4 Powder XRD analysis X-ray powder diffraction was used for the identification of the synthesized crystal. 461-463 Research Paper Helena et al ______________________________________________________________________________________________ Fig. 3.5405600 Å) operating at a voltage of 40KV and a current of 20mA..4. 1(4).) 2000 1500 1000 500 0 -500 10 20 30 40 50 60 70 (201) (013) (210) (200) (102) (200) (101) (120) 2 Theta Fig. 3.5. CHARACTERIZATION STUDIES 3. In this technique almost all functional groups in a molecule absorb characteristically within a definite range of frequency . The scanning rate was maintained at 1. The Raman band at 500cm-1 is due to NH2 bending.3. The absorption peak observed at 1126cm-1 is due to asymmetric bending. Single crystal X-ray diffraction analysis Single crystal X-ray diffraction was carried out by using ENRAF NONIUS CAD-4 diffractometer to estimate the cell parameters. NEW.029(1) Å. Thus the FTIR spectrum confirms the formation of DGSN and its characteristic frequencies are observed as mentioned above. 3.
S. According to Meyer’s law.Venkataraman.Kurtz.R.0 140 Vickers hardness number(kg/mm ) 1.INT.Kristallogra.Maheswaran. INN.  P. 11].Bhat. J.. B 28 (1972) 1484.Vishwamitra.Ramasamy. H.Mohan Kumar. P.8544 P/d2 kg/mm2. S. REFERENCES B.The second harmonic signal generated in the crystal was confirmed from the emission of green radiation of wavelength 532nm by the crystal which shows that the samples exhibit good NLO property. it is observed that hardness number increases with load. Pulse energy was 4mJ/pulse and pulse width was 10ns.Trzebiatowska. R. Where P is the applied load in kg and d is the diagonal length of indentation impression in millimeter and 1. M. M.7.Kalsi. 1985. Manch.46 1.Venkataraman. where ‘n’ is the Meyer’s index and ‘a’ is a constant for a given material. Fig.8.  Hanneman.Onitsch. Z. 3.25 times that of KDP.5 60 1. Thus DGSN belongs to soft material category.Narayanan. The structure of the grown crystal of DGSN was found by single crystal XRD studies.  R.Jayarama.Pol. 2012.Rajasekaran.48 1. The single crystals of DGSN were grown from solution using water as the solvent.Pepinsky.50 1.  E. S. The value of ‘n’ obtained for grown DGSN crystal was 3.Cryst.39 (1968) 3798.K.Mohan Rao. NEW.5. P=adn. Wiley Eastern. The fundamental beam of 1064nm from Q-switched Nd:YAG laser is used to test the second harmonic generation property of the DGSN crystal by using Kurtz technique. Vickers micro hardness number (Hv) for DGSN crystal is calculated using the following relation Hv = 1.Rev. 1(4). J. J.Jona.6. P.Crystal Growth 280 (2005) 581. J. A. M.A. R.8544 is a constant of a geometrical factor for the diamond pyramid. The SHG efficiency is found to be 0. From Vickers micro hardness studies. 142 (1975) 52. Spectroscopy of Organic Compounds.  J. Venkataramanan. The formation of DGSN was confirmed by Powder XRD pattern. A. CONCLUSION A novel semi-organic crystal DGSN was synthesized.M..4 Load(g) 1. R.Dharmaprakash. and it are more for soft materials.Hoshino.Jayavel.8 100 Log P 20 30 40 50 60 70 80 90 100 110 1.Sureshkumar. Metall.Narayanan. F.Mitsui. From the results.Baran. The non-linear optical studies confirm the SHG property of the material.23 (1941) 135 463 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . J. Plot of load versus Hardness number 3.Phys.Vishwamitra.  V.142(1975) 52. Acta Crystallogr. S. the cut-off wavelength was found. Plot of Log P versus Log d 4.Drozd. Functional groups were confirmed by FTIR analysis.5 SHG studies Kurtz  second harmonic generation (SHG) test was performed to find the NLO property of DGSN crystal. Acta Crystallogr.Cryst.58 Log d Fig. S. T.6. it is observed that the hardness number increases with the applied load.Appl. From careful observations on various materials Onitsch  and Hanneman  pointed out that ‘n’ lies between 1 and 1. M.44 1.  J.  S.42 1. J. H.52 1.Mohan Rao.Tperry.54 1.K.Growth 252 (2003) 317.Growth 179(1997) 605. Vickers micro hardness studies Vickers micro hardness measurements were carried out on DGSN crystal using a Vickers micro hardness tester fitted with a diamond indentor.  P.K.Sherwood. The variation of micro hardness values with applied load is shown in Fig. J.56 1. M.M. T. Z. Pietraszko.Kristallogra. The details of the experimental set up used in the present study for measuring the powder SHG efficiency are reported elsewhere [10.115 (1959) 323. Phys.40 1.6 for moderately hard materials. J. Mikroscopia 2 (1947) 131. The indentations were made using a Vickers pyramidal indentor for various loads from 25 to 100g.L..N.9 2 120 1. 461-463 Research Paper Helena et al ______________________________________________________________________________________________ 160 2.Narayana Moolya.7 1.6 80 1.A. The formation of DGSN was confirmed by Powder XRD pattern.Ratajezak.3 1. From UV-visible spectral studies. B 28 (1972) 1484. New Delhi.
1(4).1 Material Synthesis The Ammonium Diboro Oxalate was synthesized by condensation reaction between Ammonium Carbonate (NH3CO3). The second harmonic generation efficiency of the grown crystal has been confirmed by Kurtz and Perry powder technique. Pasupathi2* and A. The solution was filtered using a high quality Whatman filter paper and the resuting product of ADO was obtained. Solubility at a particular temperature was determined by dissolving the synthesized salt in 100 ml of double distilled water taken in an airtight container maintained at the same temperature with continuous stirring.. Thermal properties were investigated by Differential Thermal and Thermo Gravimetric analyses. Solubility curve and as grown ammonium diboro oxalate single crystals INTERNATIONAL JOURNAL OF NEW INNOVATIONS . second harmonic generation efficiency properties of ADO are reported. 2. The same procedure was repeated to estimate the solubility at different temperatures. Inorganic materials have excellent mechanical and thermal properties but possess relatively modest optical non linearity because of the lack of extended . The grown crystal was purified for successive recrystalization process. The development of organic materials for use in nonlinear optical devices are interest because of their optical nonlinearities. 2012.V. INN. high laser damage threshold etc. Thayumanavan2 1. Thendral1.. optical. solvent evaporation technique was employed for the growth of ammonium diboro oxalate single crystal at 40C. Hence in the present work systematic studies on the growth and structural. optical switching. INTRODUCTION Search for new materials with high optical nonlinearities have been the important task because of their practical application in harmonic generation. The percentage of optical transmittance and the band gap of ADO were ascertained by recording the UV-VIS-NIR spectrophotometer. SPECTRAL.1. 1.1. 50o and 55°C. Optical studies.M Sri Pushpam College. 2.2 Determination of solubility The solubility of ADO was determined for five different temperatures viz. The FT-IR study reveals the various functional groups present in the crystal lattice.. G. Key words: Solution growth. The unit cell parameters were evaluated by single crystal X -ray diffraction (SXRD) and Powder X-ray diffraction (PXRD) techniques. THERMAL AND OPTICAL PROPERTIES OF AMMONIUM DIBORO OXALATE SINGLE CRYSTAL – A SEMI ORGANIC NONLINEAR OPTICAL MATERIAL V. Moreover. Poondi-613503. The reaction mixture was refluxed in deionised water. NEW.V. *Corresponding author E-mail: gpasupathi 123@gmail. Hence it is necessary to synthesize and grow novel semiorganic crystals which have positive aspect of both organic and inorganic materials. 35o. But most of the organic crystals usually have poor mechanical and thermal properties and are susceptible for damage during the processing. After four weeks a well-defined.com Abstract: Single crystals have wide applications in all vital respects of material. Nonlinear Optical studies. EXPERIMENTAL 2. After attaining the saturation.electron delocalization. The PXRD pattern confirmed the crystalline nature of the grown crystal. optical data storing and other signal processing devices [1-3].INT. frequency doubling. thermal. the equilibrium concentration of the solute was estimated gravimetrically. 45o. Single crystal XRD. Boric Acid (H3BO3) and Oxalic acid (C2H2O4.3 Crystal Growth According to the solubility data. 40o. J. good transparency single crystals of ammonium diboro oxalate of size up to 8x5x4 mm3 were harvested. 464 2. The solubility curve of the title compound is shown in the Fig. A. GROWTH. 464-466 Research Paper ISSN:2277-4459 SYNTHESIS. Thanjavur. medical and physical sciences. A new semi-organic nonlinear optical crystal Ammonium Diboro Oxalate (ADO) has been grown by slow evaporation technique.2H2O) taken in 1:2:4 ratio. Fig. PG and Research Department of Physics. it is difficult to grow larger size optical quality crystals of these materials for device applications. The advantages of semiorganic materials include they can be grown from aqueous solution and form large three dimensional crystals of excellent physio-chemical properties.
1(4).3). RESULTS AND DISCUSSION 3.2 FTIR spectral analysis Infra-red spectroscopy is effectively used to identify the functional groups and determine the molecular structure of the synthesized compounds.54 594.2.3 UV-Vis-NIR spectral studies In order to estimate the optical transparency in the 190-1100 nm region of the electromagnetic spectrum. Vibrational band assignments of ammonium diboro oxalate LCO (cm-1) 1721 1609 868 531 KB5 (cm-1) 1433 1358 591 508 ADO (cm-1) 1710.547 Å.The unit cell parameters are a= 6. The large transmittance in the entire visible region enables it to be a good candidate for optoelectronic applications.4 mJ and pulse of width 8 ns with a repetition rate of 10 Hz was used for the present experimental study. The FT-IR spectrum of the title compound was recorded using Perkin Elmer RX1 spectrometer by KBr pellet technique in the range 4000400 cm-1 (Fig. 3. 2. The well defined Bragg’s peak at specific 2 angles shows high crystallinity of ammonium diboro oxalate. b= 7. A Q-switched Nd:YAG laser operating at the fundamental wavelength of 1064 nm. Table 2. 3.189 Å.INT. Fig 4. The terminal asymmetric and terminal bending vibrations of B-O and O-B-O ions are identified at 1443 and 594 cm-1 respectively..29 1443. which is the descriptive of the result of absorption processes. 3. generating about 11.24 517. In this study the transmittance of the sample. 464-466 Research Paper Thendral et al ______________________________________________________________________________________________ Fig.4 Second Harmonic Generation (SHG) measurement The second harmonic generation efficiency of the grown crystal was measured by Kurtz powder technique . FT-IR spectrum of ammonium diboro oxalate 3. 3.8 Assignment C=O stretching carboxylate C=C stretching B-O terminal stretching asymmetric of The asymmetric vibration of B-O ions is identified at 1385 cm-1 and 1250 cm-1 respectively. shows that the crystal has a good transmittance and the lower cut off wavelength is 280 nm. Optical transmission spectrum of ammonium diboro oxalate single crystals 465 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . 2012. It is an important and well accepted technique to evaluate the SHG efficiency of a nonlinear optical material. B-O asymmetric stretching C-C stretching mode O-B-O terminal bending O-B-O ring bending Fig. Powder XRD pattern of ammonium diboro oxalate Fig. The other frequencies are assigned and compared with LCO and KB5.15 1385 885.1 Single crystal and powder XRD The synthesized material was subjected to powder X-ray diffraction (PXRD) studies using Rich shiefer Xray diffractometer to confirm the crystallinity of the material. the optical transmittance study was carried out on the ADO crystal using Perkin Elmer Lambda 35 spectrophotometer.313 Å. The unit cell parameters of ADO were measured by Nonius CAD4 single crystal X-ray diffractometer and the datas are refined by SHELXL Program. INN. It is found to be the synthesized materials crystallized in triclinic crystal system with the space group C63v . The characteristic vibrational frequencies are assigned and compared with the L-Citrulline oxalate monohydrate (LCO) and Potassium pentaborate (KB5) single crystal [4. The carboxylate stretching vibration frequencies are identified at 1710 cm-1.5] .89 1605. c = 10.4. was recorded at room temperature. NEW. J. The results are given in Table 2. The PXRD pattern of the grown crystal is shown in Fig.
235-240. issue 1. H. J. J. V. Hence it might be useful for making the NLO devices below its melting point. Phys.Rodrigues Jr. Opt.G.Misoguti. Appl. 3. M. Sharpness of the endothermic peak observed in DTA showed good degree of crystallinity of the specimen.L.K. and T. T. The ADO crystal is highly transparent in the UV-Vis-NIR region with low optical cut off wavelength at 280nm. Vol. “Investigations on the growth and characterization of L-citrulline oxalate monohydrate single crystal”.INT.D. E.J.7 oC (the melting point of the substance) and then it undergoes an irreversible endothermic transition at 231oC.4 times that of KDP. T. S. 172-176. which was packed in a micro capillary tube. pp. The SHG relative efficiency of ADO is 1.L. 321. E. The grown crystal was characterized by single crystal and powder X-ray diffraction analyses.Sheik Bahae. 1990. it is found that the relative SHG efficiency of ammonium diboro oxalate is 1. 4.Vanherzeele. From this measurement. Thus the grown crystal can be a prospective material for NLO application.Van Stryland. 3. 6. nonlinear refraction. pp. 39. pp. S.A.Mythili. S . Perry.J. S. 10-16. 4..Sreevalsa. INN.W. The output energy was detected by a photodiode detector integrated with oscilloscope assembly.5 Thermal analyses The thermal properties of ADO were studied by DTA/TGA analyses.Zilio. REFERENCE 1. crystal growth. A.Hagan. 3798-3814.W. Eng. 22.Nunes Mendonca. J. 1985. M.Van Stryland. optical.R. Kurtz.J. DTA/TGA spectrum of Ammonium diboro oxalate 466 INTERNATIONAL JOURNAL OF NEW INNOVATIONS .So.Wei.. electrical and spectral properties of potassium pentaborate (KB5) single crystal”. From these studies the synthesized material belongs to triclinic system. S. 2008.F.Jayalekshrmi. 2.Mater. “Sensitive Measurement of Optical Nonlinearities Using a Single Beam” IEEEJ. NEW. pp 613.C. Vol. Vol. and optical limiting in semiconductors. 1(4).Woodall. Vol. S..C. 1968.4 times that of KDP.T. pp 760-769. “A powder technique for the evaluation of nonlinear optical materials” J. “Two photon absorption. D. Vol. 464-466 Research Paper Thendral et al ______________________________________________________________________________________________ THE input laser beam was passed through an IR reflector and then incident on the powdered form of the grown crystals. The FT-IR analysis confirms the functional groups present in the crystal lattice. F. TGA curve shows that there is a sharp weight loss at 138oC and then the sample undergoes gradual weight loss till 231oC. pp. 5. Quantum Electron. The thermal analyses indicate that the crystal has good thermal stability upto 138oC. Spectrochimica Acta Part A. CONCLUSION A new semiorganic nonlinear optical material ammonium diboro oxalate was grown by slow evaporation method. M.Said. 26..A. Vol. 2003. Fig 5. June 2011.Bogess. 24. P.” Opt. From the DTA curve it is observed that the material is stable up to 138. “Studies on the growth.Guha. 2012.Smirl. Stellamary.Shahilkirupavathy. 71.
The solubility was determined by dissolving the solute by stirring in water in an airtight container maintained at the relevant temperature. Tamil Nadu. thiourea is combined with potassium chloride to form a new semiorganic optical material. 467-469 Research Paper ISSN:2277-4459 SYNTHESIS. 1. The solubility study was carried out at various temperatures ranging from 35-55°C in aqueous solution. Anuradha1. The range and percentage of optical transmission were ascertained by recording UV-Vis-NIR spectrum.1 Photograph of BTKL crystals 467 Fig. INN. The same process was repeated to estimate the equilibrium concentration of the solute at various temperatures.2wt% 0f L-arginine according to the following chemical reaction.. 2012. Palayamkottai. Benet Charles2 2 Department of Physics. St. 2. Growth from solution.2 Solubility curve of BTKL crystals INTERNATIONAL JOURNAL OF NEW INNOVATIONS . 2.1. The thiourea molecule is an interesting inorganic matrix modifier due to its large dipole moment  and its ability to form an extensive network of hydrogen bonds . The crystals of BTK are shown in Fig. 3. EXPERIMENTAL 2. we are presenting a preliminary report on the growth and characterization of new semi-organic optical material bis-thiourea potassium chloride (BTKL) single crystals. Single crystal. Email: anuayappan@gmail. J. Its mechanical behavior was estimated by Vickers Microhardness test. Bulk size of BTKL crystals were crystallized with well defined faces in a period of 30-40 days. the equilibrium concentration of the solute was estimated gravimetrically. VOC College. 1(4). X-ray diffraction.2 Solubility The synthesized salt of BTKL has been determined for five different temperatures from 35-55°C. 30 28 26 Solubility(g/100ml) 24 22 20 18 16 14 35 40 45 Temperature( C) o 50 55 Fig. 2 shows the solubility curve for BTKL. J. Department of Physics. The centrosymmetric thiourea molecule.1Single crystal XRD analysis The title compound (BTKL) was analyzed by single crystal X-ray diffraction method to determine the lattice parameters.1 Crystal growth The BTKL single crystals were synthesized using analar grade thiourea and potassium chloride in a stoichiometric ratio of 2:1. when combined with inorganic salt yields noncentrosymmetric complexes.628008. INTRODUCTION Thiourea and its family of crystals have been reported to be very great interest for the non-linear optical (NLO) applications [1-4]. RESULTS AND DISCUSSION 3. Grown crystals were characterized by single crystal X-ray diffraction and FTIR technique.com 1 Abstract: Single crystals of Bis thiourea potassium chloride (BTKL) have been grown in a period of five weeks from solution by slow evaporation method at room temperature. Fig. Since thiourea has the coordinating capacity to form different phases of metal-thiourea complexes. OPTICAL AND MECHANICAL PROPERTIES OF L-ARGININE ADDED BIS-THIOUREA POTASSIUM CHLORIDE SINGLE CRYSTALS (BTKL) G. 2[CS(NH2)2] + KCl K[CS(NH2)2]2Cl2 The mother solution was thoroughly stirred using magnetic stirrer and the mixture was heated to avoid decomposition of the solute molecules. Tamil Nadu. The seed crystals were obtained by spontaneous nucleation technique.INT. Here solubility increases with temperatures. NEW. After attaining saturation. Keywords: Characterization. Tuticorin . In this paper. Xavier’s College. In the present study. the mixture of the reactants had to be stirred well to avoid co-precipitation of multiple phases . V. which have the NLO properties .
 P. From the result. UV-Visible spectrum The UV-vis-NIR transmittance spectrum was recorded using UV-vis-NIR spectrophotometer. Vickers microhardness number (Hv) for BTKL crystal is calculated using the following relation H v=1.stretching vibrations. The peak observed at 2681 cm-1 is due to NH2. 3. Fig. Cryst. J. P. it is observed that hardness number increases with load. P. Good quality of BTKL crystals were grown by slow evaporation technique. J. 1(4). Ramasamy. L.Variation of hardness with load for BTKL crystal 3. Maheswaran. From UV-visible spectral studies.8544 P/d2 kg/mm2 where P is the applied load in kg and d is the diagonal length of indentation impression in millimeter and 1. 2012. UV-vis-NIR transmittance spectrum of BTKL 90 3. Jayavel. INN.. Thus the FTIR spectrum confirms the formation of BTKL and its characteristic frequencies are observed as mentioned above. the broad and intense peak due to NH3+ stretching vibrations appeared as strong absorption band in the range 3153-3378cm-1 and hence hydrogen bond interactions involving NH3 stretching vibrations could be strong. 179 (1997) 605. 100 80 60 3813 Hardness Number(kg/mm ) 2 80 70 60 50 40 25 30 35 40 45 50 Load(g) Fig. R. 218 (2000) 365. 4. Cryst. Ushashree. M. 197 (1999) 216. NEW. Cryst. The FTIR spectrum of BTKL is shown in Fig. 467-469 Research Paper Anuradha and Charles ______________________________________________________________________________________________ Table 1. It is observed that the lower cut-off-wavelength of BTKL crystal is at 280 nm and the crystal is found to be transparent in the region of 280-1100 nm. Sherwood.5. Venkataramanan.2. CONCLUSION BTKL single crystals were synthesized and its solubility was analysed in the temperature range 35-55°C. S. R. The absorption band at 623 cm-1 is assigned to out of plane bending vibration.3. Growth. The functional groups present in the grown crystal have been confirmed by FTIR spectral analysis. 3. M. 3. 4. The C=S asymmetric bending vibration at 1089 cm-1 is shifted to lower frequency of 1080 cm-1.4 Vickers Microhardness Studies Vickers microhardness measurements were carried out on BTKL crystal using Vickers microhardness tester fitted with a diamond indentor.8544 is a constant of a geometrical factor for the diamond pyramid. Using the formula Eg= hc/ . Subramanian. REFERENCE %T 2359 40 2681 3378 1592 0 480 20 3258 3153 1429 1080 4000 3500 3000 2500 2000 1500 1000 Wave number(cm ) -1 500 Fig. The indentations were made for various loads from 25 to 100 g. N. FTIR spectrum of BTKL single crystals  P.INT. H. Single crystal XRD data for BTKL crystal Crystal parameters a (Å) b (Å) c (Å) α=β=γ v (Å ) symmetry 3 BTKL 5. Ushashree. the band gap energy was found to be 4. 4. C. Bhat. Muralidharan.4371 eV. 468 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . The absorption band at 1429 cm-1 corresponds to CH2 stretching vibration. shows the UV-vis-NIR spectrum recorded with highly transparent single crystal of BTKL of thickness 2 mm.456(2) 7. In the FTIR spectrum of BTKL.  V.624(3) 8. J. Growth. Single crystal XRD analysis confirmed that the BTKL crystallizes in orthorhombic system. the cut-off wavelength was found. J.4(2) orthorhombic Fig. Growth. A plot between the hardness number and the load is depicted in Fig. Jayavel. The weak band observed at 480 cm-1 in the Raman spectrum is assigned to K-Cl stretching vibrations. R. From Vickers microhardness studies.5. J. The band at 1592 cm-1 is assigned to N-C-N stretching vibration. it is observed that the hardness number increases with the applied load. FTIR Studies In this study the FTIR spectrum was recorded in the range 400-4000 cm-1 for BTKL single crystal. Ramasamy.5442(2) 90° 355.
Y. A. Bull. INN. 229 (2001) 563. Res.Growth. R. Mater.Cryst.Ramasamy. A. Anie Roshan. A. Hellwege.  B.Spectrosc. M.. 49 (2001) 299. 2012. Cyriac Joseph. 467-469 Research Paper Anuradha and Charles ______________________________________________________________________________________________  R. Berlin.M. H. Finkelshtein. Shteinberg.Springer. Bhat. Mater. Hellwege. 33(1998) 833-840. 1(4).Rajasekaran. Mushkiw. P.Opt. M.Us hashree.33(1972)589 469 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . S.. J.M.INT. Dharmaprakah.  K. J. P.  S. Y. J.  S.Jayavel. G. Ittyachen.. Lett. I. 1982. NEW.. Landolt-Bornstein: Numerical Data and Functional Relationships in Science and Technology Group II.
Keywords: Chemical precipitation. cadmium nitrate and sodium hydroxide as starting materials. nanoparticles. The grain sizes are also calculated using Williamson–Hall (WH) equation. sensors . This solution was added in drops with constant stirring to 0. Thiagarajar College. EXPERIMENTAL Cadmium doped zinc oxide (Zn1-xCdxO) nanoparticles were grown by simple chemical precipitation method at room temperature using zinc nitrate. 3 Department of Physics.com 2 Abstract: A simple and cost effective chemical precipitation method has been utilized to grow cadmium doped zinc oxide nanoparticles. FTIR. The sample is characterized with X-ray diffractometer.2 M of sodium hydroxide solution. NEW. The collected precipitate was dried at 250C for 5 hour. 4 Department of Physics. ZnO is one of the most studied materials of the II-VI materials that derive continuous attention of the researchers worldwide. Where D is the crystallite size. J. Madurai-625 002. Different synthesis methods have been devised to grow undoped and doped ZnO nanomaterials. A.10 and dissolved in 100 ml of deionized water to make 0. India.Singarakottai-624 708. India. D = 0. metal-semiconductor field-effect transistors in transparent integrated circuits . is the full width at half maxima (FWHM) in radians and is the Bragg’s angle.9 / cos.2 M of solution. 0. The XRD pattern confirms that the Cadmium doped zinc oxide has Wurtzite geometry. SILAR method  and hydrothermal method . White precipitation was obtained after the completion of reaction. India. we synthesized cadmium doped zinc oxide nanoparticles using chemical precipitation method. The American College.07 and 0.K.Scherrer’s (DS) formula . INTERNATIONAL JOURNAL OF NEW INNOVATIONS . sol-gel method .Chandramohan2. is the wavelength of the Cu-k line. However. RESULTS AND DISCUSSION 3. Figure 1 shows the X-ray diffraction pattern of the cadmium doped zinc oxide nanoparticles. Devakottai-630 303.Anees Fathima1 and P. group II and group III metal ions are doped with ZnO . This dried cadmium doped zinc oxide was used to characterize XRD pattern.Shunmugasundaram4 1 Department of Physics. R. has been chosen to calculate the particle size. For this reason. Crystallite size were calculated using Debye.Vijayalakshmi4. The resultant solution was constantly stirred for 15 hour. wide conductivity range and conductivity changes under photo reduction/oxidation condition . R. India. ZnO have high transparency in the visible and near-ultraviolet spectral regions. SEM and photoluminescence spectra. When the cadmium doping concentration increases.Bruno Chandrasekar 1 . Government Arts College. India. individual particles are visualized with spherical morphology. Madurai-625009. 2.INT. Pannaikadu Veerammal Paramasivam College.sambruno@gmail. The XRD pattern of the ZnO:Cd is coincidence with the standard JCPDS(89-7102) data. The average strain of the material can be calculated using the equation  = [( / Dcos) -]/ tan. In this work. The average grain size using Debye . with an exciton binding energy of 60meV and a direct band gap of 3. wurtzite. 5 Department of Physics. Department of Physics. 2012. A. 3. The synthesis methods of zinc oxide and doped zinc oxide in nano range have attracted considerable attention due to their application prospects in the development of materials area such as solar cells . including gas condensation process . The precipitate was then washed several times with ethanol and centrifuged. photoluminescence and scanning electron microscope.Scherer’s formula of the particle is found to be lying in the range of 22 nm to 29 nm. which has a stable wurtzite structure.1 XRD Study XRD pattern provided information about crystalline phase of the nanoparticles as well as the crystallite size. INTRODUCTION Sized-controlled inorganic nanoparticles have attracted more interests because of their enhanced material properties compared to their counter bulk.05. (101). INN. For each doping concentration. STRUCTURAL AND OPTICAL PROPERTIES OF CADMIUM DOPED ZINC OXIDE NANOPARTICLES L. The grain size is found to increase with the Cd content in ZnO. ZnO belongs to II-VI compound. the main peak.John Peter3. pure ZnO nanomaterials lack stability in terms of thermal edging in air or corrosive environments . The FTIR spectrum shows the Zn-O and Cd-O bond. 470-473 Research Paper ISSN:2277-4459 SYNTHESIS. E-mail:bs.. FTIR. Melur-625 106. 470 Zinc nitrate and cadmium nitrate were weighed according to the stoichiometry x =0. The average particle size is in the range of 22 nm to 37 nm. Chemical precipitation method . Sree Sevugan-Annamalai College.37eV at room temperature. 1. 1(4).
The true value of the lattice constants can be obtained by calculating NelsonRiley function (NRF) . 6: FTIR Spectrum of ZnO:Cd(10%) 471 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . NEW. 4: Cd Doping Concentration vs.6 1.0019 0.0020 0.7 0.0021 0. 470-473 Research Paper Anuradha and Charles ______________________________________________________________________________________________ Table 1: Structural properties of ZnO:Cd 0. ZnO:Cd(10%) ZnO:Cd(7%) ZnO:Cd(5%) Intensity (a.0 Dislocation density (10 lines/m ) 2 15 1. is shown in figure 6. The calculated lattice constants are found to be in good agreement with standard JCPDS data.2 The texture coefficient (TC) was calculated using the intensity data.00168 37 nm 2. The structural properties of the synthesized nanoparticles are tabulated in Table 1 and they are graphically shown as the function of Cd doping concentration in figure 2-5.0023 ZnO:Cd(10%) 80 648 Transmittance(%) 0.00228 27 nm 2. The lattice constant was calculated by using formula 1/d2 = 4/3 (h2 + hk + k2)/a2 + (12/c2).00196 32 nm 2.62 2.5: Cd Doping Concentration vs. 3: Cd Doping Concentration vs.3249 nm.4 1.0022 0. The texture coefficient increases as the doping concentration increases that indicate the periodicity of atoms increase. 1(4).2 FT-IR Study FT-IR spectra of cadmium doped zinc oxide nanoparticles of ZnO:Cd (10%).0023 ZnO:Cd (5%) Grain Size (DS Formula) Dislocation Density Strain Grain Size WH Equation TC 22 nm 2.2 1.0016 5 6 7 8 9 10 20 0 1382 4000 3000 2000 -1 446 1000 0 Cd doping concentration % Wavelength (cm ) Fig.15x1015 /m2 0. Texture Coefficient 0 10 20 30 40 o 50 60 70 80 90 Position ( 2Theta) 3. Dislocation Density 2.. c = 0. INN.8 1.70 2. 1: XRD pattern for Zn1-xCdxO 0.0018 0.68 Texture coefficient 2. The grain size increases as the doping concentration increases but the dislocation density and strain decreases.5206 nm and diffraction peaks indicates the Wurtzite geometry of the material. J.0022 0. 2: Cd Doping Concentration vs.0017 0.66 ZnO:Cd (10%) Strain 0. Lattice constants a = b = 0.u) 2.Strain 2. There are O-H stretching (3454 cm-1) and vibration (1382 cm-1) bands in addition to Zn-O and Cd-O band. 2012.0016 5 6 7 8 9 10 Cd doping concentration % Fig.0020 60 1706 1634 40 Strain 0. 100 Fig.61 ZnO:Cd (7%) 26 nm 1. This may be due to the atomic radii of Cd is greater than Zn.0017 29 nm 1.64 2.0019 0.0 5 6 7 8 9 10 Cd doping concnetration % Fig. The peak at 648 cm-1 is attributed to Cd-O and the peak at 446 cm-1 is attributed to Zn-O.0021 0.66 2. The calculated true lattice constants are given in table 2.INT.11x 1015 /m2 0.56x1015 /m2 0.Grain Size Fig.60 5 6 7 8 9 10 Cd doping concentration % Fig.0018 0.
Dr. J.Davamani Christober. 1(4). 470-473 Research Paper Anuradha and Charles ______________________________________________________________________________________________ Table 2: True Lattice Constants ZnO:Cd (5%) 3. The deep level emission is because of the recombination of electrons in single occupied oxygen vacancies. 7a: SEM Image of ZnO:Cd(5%) Fig. The near band emission and deep level emission are observed in the photoluminescence spectrum at room temperature.2473 Ǻ Intensity 1000 ZnO:Cd(5%) ZnO:Cd(7%) ZnO:Cd(10%) Lattice constant ao Lattice constant co 800 5. individual particles are visualized with nearly spherical morphology rather than agglomerated morphology. 9: Near Band Emission of ZnO:Cd 472 INTERNATIONAL JOURNAL OF NEW INNOVATIONS ..2032 Ǻ 600 400 3. 200 0 300 350 400 450 500 550 600 Wavelength (nm) Fig.Gnanasekar for providing laboratory facilities in the American College. INN. CONCLUSION In conclusion.INT. operated at accelerating 10 kV potential. The near band emission at 430 nm and deep level emission at 545 nm are observed in the room temperature PL spectrum. When the cadmium doping concentration increases. 8: PL Spectrum of ZnO:Cd It is observed that the magnitude of PL intensity increases as Cd concentration in ZnO increases.2625 Ǻ 5.2603 Ǻ 5. Fig. The intensity of near band emission increase as the cadmium doping concentration increases and it is shown in figure 9.Robson Benjamin and Dr. 4. Madurai and their support in all aspects. we synthesized Cadmium doped zinc oxide nanoparticles using chemical precipitation method. The SEM image of the Cd doped ZnO nanoparticles are shown in figure 7.4 Photoluminescence Study Figure 8 shows the room temperature photoluminescence spectrum of Cd doped ZnO nanoparticles excited at 350 nm. 3. 2012. 7b: SEM Image of ZnO:Cd(7%) 800 700 600 500 ZnO:Cd(5%) ZnO:Cd(7%) ZnO:Cd(10%) Intensity 400 300 200 100 0 300 350 400 450 500 Wavwlength (nm) Fig.2273 Ǻ ZnO:Cd (7%) 3. NEW. The linearity of the structural properties shows that the Cd ions had taken the place of Zn ions in ZnO lattice.2227 Ǻ ZnO:Cd (10%) 3. ACKNOWLEDGEMENT Bruno and Anees thank Dr. 7c: SEM Image of ZnO:Cd(10%) Fig. The near band emission is due to free-exciton recombination.3 Surface Morphology The surface morphology of the nanoparticles was studied by scanning electron microscopy. This is because the recombination of photogenerated hole with an electron occupying the oxygen vacancies.
33. Y.Chatterjee and H. Ho Chang and Ming-Hsun Tsai.Sci.A. 9 (1999).M. J.Tokumoto.H.Q. 107 (2003).Li. Thin solid films.Von Wenckstern. 12. Y. M.Santilli and V.Miao.Cao. J.Briois. INN.E.Zhang. A. Wang. T.Kuno. F.Frenzel. 18 (2008).Vijayan. S. H. 515 (2007).25 (1996). W. 11.H.Lett.S. 2. Solid-state Che. M. Lingna and M.Electron.Mater. Y. Hou.W.Narayandass.Mater.Maiti.Chandramohan.Lorenz. 20 (2001). 1381.Schein.P.K. S.43 (2008). L. Y. Chem. E.Shi. Mamoun.Zheng and Z. 176. N. 470-473 Research Paper Anuradha and Charles ______________________________________________________________________________________________ REFERENCES 1. 74.Kitsipolous.Hayashi. T. Y. A.W. R..Kiriakidis. 35 (1998). 734. 45 (2006).Harrison.Katsarakis. Mater.Phys.Mater. 8. Y.Mater.Mangalaraj. G. Huang.J.Chem. J. Zhang. Sa. 6.Mater. 7.Lett.J.Phys. P. Mitra.J.M. P. 9.Grundmann. 776. S.W. H. 13.Tanemura. C. Huang.Adv.Lajn.Y. 5.Mater. J.H.Appl. 5332. Chem.765.Yin. M.Salem and Roger G. Mater. A.V. 10. 1(4). Xie. J. 2871.Valanarasu. 4. Y. H. S.Mori. Rev. NEW.Subramaniyan.Jimenez-Gonalez. 13 (2001).Gurumurugan. D. Zh. Rev. M. 3. K. 22(2009).Sci. J.Mater. T.. Jour.Pulcineli. and S.Sci. W. 22 (2010).J.Thiryumalai.Tanemura.INT. B.Hammad. 568. 28 (1997). J.Adv.S. 1623.Suchea. Z. B. Cheng. 6562. C. Adv. Jamil K.Christoulakis.Sci. 2012. M. 473 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . 678.
First order hyperpolarizabilty of LTA have been computed with the help of density functional theory (B3LYP) basis set. As hyperpolarizability is difficult to measure directly. They have innumerable potential applications in optical computing.INT. The electric dipole moment (μ) and Hyperpolarizability(β) values of the investigated molecule have been computed using ab inito quantum mechanical calculations. 1(4). LUMO 1. molecular structure and analysis of the vibrational modes for the title compound LTA using density functional theory (DFT)) have not been performed and published in the literature so far. In this work the experimental and theoretical vibrational spectra of L.THREONINE ACETATE SINGLE CRYSTAL S. the energy of a system is a function of the electric field. Literature survey reveals that to the best of our knowledge. NEW. 474-475 Research Paper ISSN:2277-4459 THEORETICAL STUDY OF GEOMETRICAL AND NONLINEAR OPTICAL PROPERTIES OF L. 1 which was calculated by DFT (B3LYP) with basis set (631G).Threonine Acetate were studied. etc.com Abstract: In recent years. highest occupied molecular orbital (HOMO). S. Lowest unoccupied molecular orbital (LUMO). The 27 components of the 3D matrix can be reduced to 10 components due to the Kleinman symmetry . J. Arulmozhi1. This basis set was chosen in order to obtain the most advantageous relation of accuracy and computation time. telecommunications. The vibrational wave numbers and corresponding vibrational assignments were examined theoretically using quantum mechanical calculations. optical data storage. Density functional theory (DFT) calculations have provided excellent agreement with experimental vibrational frequencies of organic compounds. India Department of Physics..p) basis set.The HOMO and LUMO energy gap explains the charge transfer interactions taking place within the molecule. dipole moment and other thermo dynamical parameters were calculated using the GAUSSIAN 09W package .1Geometric and Hyperpolarizability calculations The first task for a computational work was to determine the optimized structure of LTA is shown Fig. National College. RESULTS AND DISCUSSION 3. First order hyperpolarizability is a third rank tensor that can be described by a 3x3x3 matrix. The first order hyperpolarizability β o of title molecular system and related properties (βo. Figure 1. inherent ultra fast response times and high optical thresholds for laser power as compared to inorganic materials . extensive investigations carried out on NLO material have been very much helpful to identify different types of NLO materials. INTRODUCTION Many investigations are being conducted to synthesize new organic materials with large second-order optical nonlinearities in order to satisfy day-to-day technological requirements [1-2]. Theoretical calculation provides another method to investigate substantial characters of materials. Madhavan1* 1 2 Department of Physics. Hyperpolarizability. In the presence of an applied electric field. 474 3. Key words: Crystal growth. The calculated hyperpolarizability is an attractive object for further studies of nonlinear optics. basis set deficiencies and anharmonicity.) are calculated using B3LYP/6-31G (d. L-Threonine Acetate. HOMO and LUMO analysis have been used to elucidate the information regarding charge transfer within molecule. Trichy – 01. India Corresponding Author: jmadhavang@yahoo. The dipole moment(μ) and the hyperpolarizability (β) values of the investigated molecule have been computed using HF and B3LYP methods. Organic nonlinear materials are attracting a great deal of attention. The optimized geometrical parameters. It can be given in the lower tetrahedral format. Pari2 and J. Loyola College. Chennai – 34. 2. based on the finite field approach.p) basis set. computational calculation is an alternate choice. if the calculated frequencies are scaled to compensate for the approximate treatment of electron correlation. 2012. INN. Structure of LTA INTERNATIONAL JOURNAL OF NEW INNOVATIONS . HOMO. EXPERIMENTAL Geometry has been optimized B3LYP level with a split valence 6-31G (d. The molecular geometry. It is obvious that the lower part of 3x3x3 matrices is a tetrahedral. as they have large optical susceptibilities.
A. Vijayakumar.. Rev. Nanayakkara. Scuseria. J. M. R. Keith. M.982706 36. M. P. Cryst. 1962. Avci. Ayala. Tomasi. Hasegawa. A. Li.891646863×10-30esu. J. J.. P. J. 2012. Phys.2715729 2. 474-475 Research Paper Arulmojhi et al ______________________________________________________________________________________________ The first-order hyperpolarizibility (ijk) of the novel molecular system of LTA was calculated.22182 a. J. W. D. M. P. M. G. Table 2: Calculated all components and tot(×10−30). Pittsburgh. Mennucci. . Yazyev. A. B. B.INT. O. Rabuck. C. Gaussian. Johnson. J. C. A. Y. Rigi. Adamo. Cheeseman. K. Growth Des. C. Chem.4746 -2. 126. H. H. Martin. The calculated dipole moment (μ) and first-order hyperpolarizibility () are shown in Table 1 & Table 2. Kitao. Al-Laham. Nakatsuji. D. Kar. S. Peng. Scalmani. C. S. Dapprich.00059 a.u 475 INTERNATIONAL JOURNAL OF NEW INNOVATIONS . Daniels. K. Meir. O. Ataly. Cioslowski. H.P. Parke. Phys. C. Nair. Wong.4506588 -1. Piskorz.6812773 -40. transition state transition of -* type is observed with regard to the molecular orbital theory. G. J. Frisch. while the energy of the HOMO is directly related to the ionization potential. P. J. Ishida. I. Honda. R. Strain. N. K. Gunter. J. A. B. Stratmann. A. C. A. E. J. J. Hada. 109 (2000) 19.2 HOMO – LUMO energy Gap Many organic molecules that containing conjugated electrons are characterized hyperpolarizabilities and were analyzed by means of vibrational spectroscopy [7. Q. Sujatha. Gill. CONCLUSION Attempts have been made to study the structural and vibrational spectra of LTA using DFT calculations. B. J. Voth. Therefore. Bocelli. Knox. S. Barone. C. Using B3LYP basis set the thermodynamical parameters. L. Raghavachari. O. Jayakumar. J. B. J. 1. Xenobiotica 24 (1994) 401. Cross. Chem. N. T. Jaramillo. A. The calculated first order hyper polarizability2 (βtotal) of LTA is 2. Ortiz. Pomelli. G. Toyota. Bosch. W. I.S. H. Liashenko. T. P. . Hratchian. A. Gaussian 03. T. J. J. A. T.1054784 -114. Table 1: Calculated electric dipole moments D (Debye) μx μy μz μ -0. A. V. M.8].1-7 . B. Madhavan. M. dipolemoment and Hyperpolarizability values were calculated. Energy difference between HOMO and LUMO orbital is called as energy gap that is an important stability for structures . S. R. Iyengar. Merline Shyla and J. Lewis. P. Klene. M. Owing to the interaction between HOMO and LUMO orbital of a structure. Pal. Challacombe. R. P. Y. Gomperts. D. Stefanov. Inc. A. Synth. Boshard. T. J. Fox. G. J. M. M. W. Dannenberg. G. Liu. J. Millam. Y. 343 (2008)83. The first order hyperpolarizability of LTA is found to be 2.R. U. Ehara. V. M. 1(4). Foresman.7536 -3.891646863×10-30esu. A. W. Schlegel. Struct. M. Trucks. . J. BaS¸ o˘glu. HOMO Energy Gap: -0. V. LUMO energy is directly related to the electron affinity. E. Nakajima. 2003. Y. Baboul.3923 4. NEW. Y. D. 19 (2008) 239. A. K. E.22241 a. REFERENCES . .5791 4. 2010.u HOMO – LUMO energy Gap : -0. Cui. Met. Komaromi. Malick. V. J. PA. Praveen Kumar. M. Kudin. INN.891646863×10-30 3.u LUMO Energy Gap: 0. Farkas. G. These studies demonstrate the DFT calculations are suitable for understanding the linear and non linear optical properties of organic compounds. Nakai. Ioannides. Hubert Joe. Petersson. Montgomery Jr.V. Archives of Physics Research. Rega. Robb. Cammi. R. D. C. X. D. Fukuda.707464 112. W. G.5205201 148. B. 1977. C. Salvador. T. G. Cossi. xxx xyy xzz yyy yzz yxx zzz zxx xyy tot(esu) -23. Hyperpolarizibility is a third rank tensor and strongly depends on the method and basis set used. .V. Zakrzewski.9792336 1. G. Pople.6251928 -18. Vreven. Burant. R. T. Kleinman. Chen. L. . Ochterski. 3 (2003) 13.. Austin. Morokuma. The HOMO and LUMO energy gap explains the charge transfer interactions taking place within the molecule. M. D. Clifford.F. Gonzalez. D.
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