Course Code CHEM 2006

Course Title ANALYTICAL INSTRUMENTATION

Semester/Year Semester Il/2023

Instructor Balram Mahabir

LAB No. 1
Submission Date 3rd/05/2023

Due Date 3rd/05/2023

Student Name Justin Raghoonanan

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Lab Title: ORGANIC COMPOUND IDENTIFICATION USING INFRARED

Objective: To familiarize and identify the functional groups in organic compounds using Infrared

spectra

Theory:

A type of spectroscopy known as infrared spectroscopy (IR spectroscopy) focuses on the infrared

portion of the electromagnetic spectrum, which is made up of light with a shorter wavelength and

lower frequency than visible light. Like other spectroscopic approaches, this one uses a variety of

techniques, primarily absorption spectroscopy, to identify and investigate chemical compounds.

For this purpose, the Fourier transform infrared (FTIR) spectrometer is a device that labs

frequently employ.

The energy of an infrared photon can be calculated using the Planck energy relation.

E = hn

Where h = 6.6 x 10-34 joule second and n = frequency of the photon. This shows that high

energy photons have high frequency.

The frequency, n, and speed of light, c, are related through the relation

c = ln

where c = 3.0 x 108 meter/second and l = wavelength for the light

These two equations can be used to identify a common spectroscopic unit called wavenumber,
, which is the reciprocal of the wavelength.

E = hn = h c ; E = hn = h c ;

= wavenumber = has units of (cm-1)

Both the recurrence and wavenumber are directly proportional to the energy.

Atoms in a molecule oscillate around their average positions, making them dynamic assemblies

of atoms in constant motion. Bond lengths and bond angles fluctuate continuously as a result of

this movement. A molecule absorbs infrared (IR) radiation due to the produced oscillating

electric field when the atoms vibrate at the same frequency as the IR radiation.

A stretch is a regular motion that alters the bond length along the line that connects the atoms. It

brings about a musical development where the distance between the molecules either increments

or diminishes.

The second type of vibration, known as a bend, produces a variation in bond angle. These

motions are occasionally referred to as scissoring, rocking, or "wig wag" motions.

For these two fundamental vibrations, there are numerous variations. A stretch can be

symmetrical or asymmetrical, and a bend can be in or out of the molecule's plane, scissor-like,

like the blades on a pair of scissors, or rocking, like when two atoms move in the same direction.

The extending and twisting movements can be recognized by taking a gander at the CH2 bunch

in hydrocarbons, where the heading of development is demonstrated by bolts. The vibrations that

stretch require more energy than the vibrations that bend.

It is important to observe that these motions necessitate a high wavenumber (high energy). The

bending movements are also known as wagging or scissoring motions.

The correlation between the lower wavenumber values and the lower amount of energy required

to produce these vibrations is clear.

Every particle ingests an unmistakable arrangement of IR light frequencies, which are frequently

alluded to as its "unique finger impression" range. The molecule's natural vibrational modes are

represented by these frequencies. A molecule only takes in IR frequencies that correspond to

vibrations that have the ability to alter its dipole moment. Because stretching does not alter the

dipole moment and bending cannot occur with only two atoms in the molecule, symmetric N2

and H2 bonds do not absorb IR radiation.

Organic molecules with symmetrical structures and identical groups at both ends of the bond do

not absorb infrared radiation. However, methyl group C-H bonds do absorb. In a complex

molecule, there are many possible fundamental vibrations, but not all of them are observed. The

dipole moment does not change for some vibrations, while others are so similar that they

combine to form a single band.

Even though an IR spectrum describes the entire molecule, specific groups of atoms can produce

absorption bands with the same wavenumber or close to it, regardless of the structure of the

molecule as a whole. After a quick look at the spectrum and using a correlation table, these

distinct characteristic bands enable the identification of significant molecule structural features.

The functional groups and their distinctive absorption frequencies are listed in the correlation

table.

A molecule's IR spectrum is a graphical representation of the frequencies of IR radiation

absorbed and the proportion of incident light that does not pass through the molecule. There are
two parts to the spectrum: the finger impression district, which is remarkable to the atom, and the

useful gathering locale, which is comparable for particles with similar utilitarian gatherings.

The non-linear x-axis of the spectrum is measured in wavenumbers, which are specific infrared

light frequencies. A value of 100 percent on the y-axis indicates that there is no interaction

between the molecule and the infrared radiation. A "band" appears on the spectrum as the

proportion of transmitted light decreases as the radiation interacts with the molecule. Each band

relates to a particular vibration inside the particle, and the width of the band can be expansive or

limited relying upon the scope of frequencies it covers. The efficiency of the vibration

determines a band's intensity, which can be classified as strong, medium, or weak depending on

the band's depth.

For instance, the hexane spectrum has a strong band for CH stretch and a medium band for CH

bend. Hexane has few bands in its IR spectrum because it only has CH bonds that can stretch or

bend. The CH2 bend band appears around 1450 cm-1, the CH3 bend band appears around 1400

cm-1, and the CH stretches band appears around 3000 cm-1. The shapes of the bands can also

vary.
 Method

Apparatus and Reagents

Apparatus

(a) Nicolet 380 FTIR, (b) HATR Accessory (liquid crystal plates) Reagents

(a) Methanol, (b) benzene and (c) cyclohexane or cyclohexene.

Procedure:
 A progression of natural examples A, B, and C. One compound was methanol, CH3OH,

another is cyclohexane or cyclohexene, C6H12 or C6H10, and the third is benzene, C6H6. The

IR spectra were utilized to identify A, B, and C. The band that was used to verify the identities,

the functional group that produced the band, and whether the band comes from a stretch or a

bend in the functional group served as justification for each choice.

Results
Identification of A,B and C Using IR Spectra:

Unknown A: Methanol, CH3OH

Unknown B: Cyclohexane OR Cyclohexene C6H12 OR C6H10

Unknown C: Benzene C6H6

 Discussion

Infrared spectroscopy was utilized to recognize the natural mixtures in view of their

attributes and retention of infrared radiation. Measurements of a sample's infrared absorption at

various wavelengths are made using IR spectroscopy. In organic compounds, various functional

groups absorb infrared radiation at various wavelengths, resulting in distinctive IR spectrum

bands. The IR spectra of the organic samples A, B, and C were used to look for the functional

group-specific bands that are found in benzene, cyclohexane, and methanol.

• A: Unknown Methanol (CH3OH) contains an O-H bond, this creates areas of strength

for a band in the IR range at around 3200-3600cm-1 because of O-H extending. The sample that

contained methanol was identified using this band.

Due to the stretching vibration of the O-H bond, there is a large absorption peak between

3200 and 3600 cm-1.

• B: Unknown Both cyclic hydrocarbons, cyclohexane (C6H12) and cyclohexene

(C6H10), lack the carbon-carbon double bond (C=C) found in cyclohexane.

Due to C=C stretching, the C=C bond produces a strong IR band between 1600 and 1680

cm-1. Cyclohexane and cyclohexene are distinguished by this band.

Between 1600 and 1680, due to the stretching vibration of the C-H bond, weak to

moderate absorption bands.

• Obscure C: An aromatic compound, benzene (C6H6) has alternating double

bonds between six carbon atoms in a ring. Due to C=C stretching and C-C stretching,
respectively, the C=C bonds in benzene produce a distinctive pattern of bands in the IR spectrum

around 1500-1600cm-1 and 1400-1500cm-1.

The stretching vibration of the C-H bond in the aromatic ring results in sharp peaks

between 1400 and 1500 cm-1.

 Conclusion

The objectives of this laboratory exercise to familiarize oneself with and identify the functional

groups in organic compounds using infrared spectra were successfully accomplished. Sample A

contained methanol (CH3OH), Sample B contained cyclohexane (C6H12) or cyclohexene

(C6H10), and Sample C contained benzene (C6H6), according to the provided results. The

utilitarian gatherings answerable for the noticed groups in the spectra are the O-H extending

vibration in methanol, the C-H extending vibration in Cyclohexane or cyclohexene and the C-H

extending vibrations in benzene.