EXPERIMENT 1

INFRARED SPECTROMETRY
ISIDRO, ORA
Chem 127.1 MEJ
September 12, 2019
ABSTRACT
Infrared spectroscopy is a powerful analytical tool that provides clues on the identity of a certain
compound or sample. These clues are based on the characteristics of the compounds' functional groups
when exposed under infrared waves. In this experiment, IR spectra of acetic acid, acetone, benzoic acid,
xylene, naphthol, ascorbic acid, and bioflu were obtained using FTIR spectroscope and analyzed which
functional groups are present for each sample. The obtained profiles contained the expected peaks but
some features suggest presence of impurities. Moreover, the obtained IR profile for bioflu supports the
claim of the brand to have chlorphenamine maleate. IR spectroscopy is not only important in identifying
unknown samples, but also in assessing quality of products.

KEYWORDS: Fourier transform, infrared, spectrometry

I. INTRODUCTION also affects the signal detected by the

Molecules behave distinctively when exposed to spectroscope (Burgula et al., 2009; Pasquini,
electromagnetic waves of different wavelengths. 2003).
For example, when infrared waves are applied
The infrared spectra can be obtained using many
on molecules, infrared waves are transformed
kinds of infrared spectrometer. One of the most
into mechanical energy in the form of movement
common IR spectrometers is the Fourier
of atoms connected by chemical bonds in
transform IR spectrometer or the FT-IR
molecules or simply, vibration. This
spectrometer. In this, radiation is pass through
phenomenon is utilized in one of the most
the sample, amplified, then high frequency
important analytical tools: the infrared
signals are eradicated. The signals are then
spectrometry (Pasquini, 2003).
transformed by means of Fourier transformation
In infrared spectrometry or IR spectrometry, (sorting of individual frequencies using
vibration of atoms are measured. More mathematical equations) then display for final
importantly, the chemical bonds that connect the presentation of IR spectra when transferred in
atoms together are determined. The signals the computer (Burgula et al., 2009).
produce in IR spectrum depends on the size of
the two atoms held together by the chemical
bond, and on the strength of the bond. In
addition, the orbital used in the chemical bond

Chem 127.1, Infrared Spectroscopy Page 1 of 6

This experiment aimed to obtain various infrared
spectra of a selection of organic compounds,
and to evaluate characteristic infrared fingerprint
of a compound.
II. METHODOLOGY
Solid samples were pulverized, mounted on the
sample platform, and analyzed by the FTIR
spectroscope.
Liquid samples were mounted on the sample
platform by means of a dropper. Samples were
then analyzed by the FTIR spectroscope.
The sampling method used was attenuated total
reflection.
III. RESULTS AND DISCUSSION
Spectroscopic methods are imperative in the
qualitative analyses of a sample compound in
order to identify certain properties that set the
compound apart from other compounds, for
every compound that features unique
conformations and properties. A potent method
for identifying compounds is infrared absorption
spectroscopy. These spectrometers are utilized
to characterize an unknown sample
interpreting the spectra. (Skoog, et al, 2013).
compounds by measuring the absorption of
electromagnetic radiation, infrared radiation, that
prompts excitation or increase in vibrational
energy (Skoog, et al, 2013). The frequency of IR
radiation ranges from 4,000 to 400 〖cm〗^(-1),
which is correlated to the amount of energy
needed to absorb for vibrational transitions to
occur.
Compounds, specifically organic compound, are
composed of bonded functional groups that
dictate properties of the molecules, such as
stability and pH level. These functional groups
vary in vibrational transitions due to the number
of atoms and bonds they possess, hence, in an
IR spectrum, the functional groups are
manifested as peaks and bonds at distinct
frequencies. (Reusch, 2013) This property of
compounds allows the identification of an
unknown sample by deducting the possible
functional groups found in the compound
through speculating on the peaks in varying
frequencies in the IR spectra.
The first IR spectrum has four prominent bands.
by The first band at approximately 3,300 〖cm〗^(-
1) indicates that the sample contains a hydroxyl

In this experiment, analyses of eight (8) varying (-OH) group. The second band at 1,705 to 1,720

organic compounds were performed through 〖cm〗^(-1) indicates that the sample contains a

interpreting the infrared (IR) absorption spectra carbonyl (C=O) group. The third and fourth
and observing the prominent bands of each bands from 1,210 – 1,320 〖cm〗^(-1) are
spectrum, as shown in graphs 1, 3, 5, 7, 9, 11, related, for O-C bonds can be signified by two
13, and 15. peaks. Ultimately, the sample that evidently
contains these functional groups is acetic acid
Infrared spectroscopy is a prime method of
determining the molecular structure and
conformation of organic and inorganic

Chem 127.1, Infrared Spectroscopy Page 2 of 6

 The third and fourth bands at around 1,600 and
1,500 〖cm〗^(-1) indicate the sample contains
unsaturation and is in a ring. Hence, the sample
is benzoic acid
Figure 1. Obtained IR spectrum of acetic acid.

Figure 5. Obtained IR spectrum of benzoic acid.

Figure 2. Chemical structure of acetic acid (Source:
softschools.com).

The second IR spectrum possesses four

prominent bands. The most prominent band at
1,715 〖cm〗^(-1) indicates that the sample is a
saturated ketone. The band at 3,000 〖cm〗^(- Figure 6. Chemical structure of benzoic acid.

1) indicates that the sample exhibits C-H
stretching. These make up the functional groups
of acetone.
The fourth IR spectrum contains 8 prominent
bands. The 2nd and 3rd bands indicate that the
sample may contain arenes. The 4th and 5th
bands indicate that the sample contains amines
(C-N).

Figure 3. Obtained IR spectrum of acetone.

Figure 7. Obtained IR spectrum of Chlorphenamine

Figure 4. Chemical structure of acetone (Source:
Maleate (Bioflu).
worldofchemicals.com).

The third IR spectrum has 4 prominent bonds.

The 2nd band at approximately 1,720 〖cm〗^(-
1) indicates that the sample contains a carbonyl
group. The 1st band at 3,100 to 2,550 〖cm〗^(-
1) indicates the presence of a hydroxyl group.

Chem 127.1, Infrared Spectroscopy Page 3 of 6

 that the sample is an alkane or is saturated. The
6th band indicates that C-C-C bending is
present. Hence, the sample may be n-propanol.

Figure 8. Chemical structure of Chlorphenamine maleate

(Source: fabricheminc.com).

The fifth IR spectrum contains 6 prominent

bands. The first band at 3,400 to 3,200 〖cm〗
^(-1) is coincided with the presence of a hydroxyl Figure 11. Obtained IR spectra of n-propanol.
group. The third and fourth bands at 970 – 1,250
〖cm〗^(-1) are indicative of C-O bonding. The
strong bands below 1,000 〖cm〗^(-1) indicate
that the sample manifests unsaturation. Figure 12. Chemical structure of n-propanol (Source:
Therefore, and can be deduced that the sample quora.com).

is 1-naphthol
The seventh IR spectrum contains 5 prominent
bands. The 2nd band represents hydroxyl
groups, the 4th band indicates the presence of
an ester group, and the 5th band coincides with
the presence of O-C (2 bands). Hence, it may be
deduced that the sample may be L-ascorbic
acid.

Figure 9. Obtained IR spectrum of naphthol.

Figure 13. Obtained IR spectrum of L-ascorbic acid (Vitamin

Figure 10.Chemical structure of 1-naphthol. C).

The sixth IR spectrum contains 6 prominent

bands. The 2nd band indicates that the sample
contains a hydroxyl group. The 3rd band shows

Chem 127.1, Infrared Spectroscopy Page 4 of 6

 the method of sample preparation is crucially
tantamount to the IR spectroscopy analysis.

Sampling techniques are classified into two

groups - liquid and solutions, and solids. For
solids, there are different techniques to prepare
Figure 14. Chemical structure of L-ascorbic acid. a sample. The mull technique involves mixing

The eighth sample tested features 6 prominent the crushed sample with a mulling agent, making

bands. The 1st band indicating the presence of viscous paste. A solid solution is a dissolved

C-H bonding, the 3rd band indicates a C=C in a solid sample in a non-aqueous solvent with no

ring (2 bands. 3 if conjugated). Therefore, xylene chemical reactions taking place. A drop of the

can be deduced. solution is left to dry, creating a thin film. The

case film technique is only applicable if the solid
sample is amorphous in nature. The sample is
deposited on either KBr or NaCl cells. The
pressed pellet technique involves mixing finely
crushed solid samples with KBr 100 times the
weight of the sample, then compressed into thin
disks.

Figure 15. Obtained IR spectrum of xylene.
Liquid samples are prepared by compressing the
samples between two infrared-transparent
windows. The film’s thickness (0.1-0.3 mm) is
achieved through adjusting the compression
pressure. Essentially, the liquid samples can be
analysed in a solution, as well. The windows are
composed of alkali halides and KBr. If using

Figure 16. Chemical structure of xylene (Source: alkali halides, the solvents must be non-
researchgate.net). aqueous.

Although IR spectroscopy is the optimal Sampling gases is very similar to sampling

technique for qualitative analysis of a certain liquids, requires a cell composed of alkali halides
sample, the machine will no register any or KBr, and the sample cell must be 5-10 cm for
information nor create any output if the samples the gases exhibit low absorbances.
are faulty. The samples can be in different
phases – be it gas, liquid, or solid; therefore the
vibrational energy varies, as well. In other words,

Chem 127.1, Infrared Spectroscopy Page 5 of 6

IV. CONCLUSION AND
RECOMMENDATIONS
Infrared spectroscopy is a perennial method in
qualitative analysis and determining
molecular composition and conformation by
interpreting the infrared spectrum. The infrared
spectrum corelates the absorbance of a certain
functional group to the wavenumber. This
experiment was able to determine the IR spectra
of eight organic compounds and their functional
groups that distinguish the molecules.
Optimal sampling is crucial for the accuracy of
the IR spectra output. Liquid, solid and gas
sampling techniques are essential in obtaining
results with minor deviations from the theoretical
IR spectra. Deciphering the necessary sampling
method for each compound is recommended in
order to avoid false peaks and unnecessary
overtones in the IR spectra.
https://shodhganga.inflibnet.ac.in/bitstrea
m/10603/20406/10/10_chapter%203.pdf
“Introduction to IR spectra” (n.d.). Retrieved from
the https://webspectra.chem.ucla.edu/irintro.h
tml
Pasquini, C. (2003). Review Near Infrared
Spectroscopy : Fundamentals , Practical
Aspects and Analytical Applications. 14(2),
198–219.
Skoog, D. A., West, D. M., Holler, F. J., &
Crouch, S. R. (2014). Fundamentals of
analytical chemistry. Australia:
Brooks/Cole Cengage Learning®.

V. REFERENCES
Burgula, Y., Khali, D., Kim, S., Krishnan, S. S.,
Cousin, M. A., Gore, J. P., … Mauer, L. J.
(2009). Review of mid-infrared fourier
transform-infrared spectroscopy
applications for bacterial detection.
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Harris, D. (2019). Quantitative Chemical
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“Infrared Spectroscopy” (n.d.). Retrieved from
https://www2.chemistry.msu.edu/faculty/r
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“Instrumentation and Sample Handling
Techiques of Infrared and Raman
Spectroscopy” (n.d.) Retrieved from

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