CHEM F313: Instrumental Methods of Analysis

Lecture 09
Infra-Red Spectrometry Problems
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Outline

 Fluorescence Spectroscopy

Today’s Class
 Infra-Red (IR) Spectrometry

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 Infra-Red (IR) Spectrometry

The absorption in IR radiation causes an excitation of a molecule from a

lower to the higher vibrational level

• Each vibrational level is associated with a number of closely spaced

rotational level.
• IR spectra is considered as Vibrational-Rotational Spectra.

All bonds in a mole are capable of absorbing IR energy, but only those
bond which are accompanied by a change in dipole moment will absorb
in the IR region.
Vibrational transitions of C=O, N-H, O-H bands are accompanied by a
change in dipole-moment, so they absorb strongly in IR region
C-C bond in symmetrical alkenes are not accompanied by a change in
dipole moment, so they don’t absorb IR energy.
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 Infra-Red (IR) Spectrometry
• IR Spectrometry is concerned with the study of the twisting, bending,
stretching, and other vibrational motions of atoms/ bonds in a
molecule upon interaction with the IR radiation
• Range of energy: Total range is 10 – 12500 cm-1
Near IR region: 12500 to 4000 cm-1 (0.8 – 2.5 mm)
Mid IR region: 4000 to 200 cm-1 (2.5 – 50 mm)
Far IR region: 200 to 10 cm-1 (50 – 1000 mm)

• Sources: Near IR region: Tungsten Filament Lamp

Mid IR region: Nernst Glower, Nichrome Coil
Far IR region: High Pressure Hg-Arc Lamp

• Detectors: Near IR region: Photoconductive Cell

Mid IR region: Thermopile, Pyroelectric, Semiconductor
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Far IR region: Golay, Pyroelectric 4
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Infra-Red (IR) Spectrometry
Stretching: The distance between two atoms increases or decreases
but the atoms remain in the same bond axis.
Bending: The positions of atoms change with respect to the original
bond axis.

Types of Stretching vibrations: Symmetric, Antisymmetric

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Infra-Red (IR) Spectrometry
• Bending (deformations): in-plane and out-of-plane

in-plane

out-of-plane
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Different possible modes

Selection Rule??

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 Infra-Red (IR) Spectrometry

• Generally, ball-spring model can be used to understand the vibration

patterns for molecular systems. Random motion of the atoms in
molecule is dominant
• Absorbed energy is used to increase vibrational energy of the bonds
• For a Non-linear molecule of N atoms: 3N-6 fundamental modes
• For a Linear molecule of N atoms: 3N-5 fundamental modes

• BUT NOT ALL modes are visible because

• Many does not accompany a change in the dipole moment
• Some are weak
• Some do not lie in the frequency region
• Two or more may overlap to give a BAND instead of PEAK
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Infra-Red (IR) Spectrometry
• The value of stretching frequency of a bond can be calculated by
applying Hooke’s Law
n = vibrational frequency
k = Force constant
m1 & m2 = masses of two atoms

Q1. Calculate the stretching frequency of a C-H bond in terms of wave

number, given m1 (carbon) = 20 x 10-24 g, m2 (hydrogen) = 1.6 x 10-24 g,
k = 5 x 105gs-2, c = 3 x 108 ms-1
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Conclusions

 Infra-Red (IR) Spectrometry

 Next Class
 Infra-Red (IR) Spectrometry

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