FTIR SPECTROSCOPY

Dr. Deepa Oberoi

PhD, IITR

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 Electromagnetic spectrum
E Increases

NMR & ESR

Nuclear
Nuclear and e- spin
Configuration VIBGYOR
involved
Rearrangement Inner e- 106 - 1010 Hz
of nuclear Energy changes Valence e- Vibrational Rotational
particles inner core shell e- Energy changes Vibrations generate Polar mol. rotating &
1018 - 1020 Hz of atoms/mol valence e- change diploe moment change diploe moment
1016 - 1018 Hz 1014 - 1016 Hz 1012 - 1014 Hz 1010 - 1012 Hz
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Region of EM radiation
(Energy/photon)
Gamma rays
105 - 106 eV/photon
Process that occur & Corresponding spectroscopy technique
very powerful high energy photons. Nuclear transitions and causes
change of nuclear configuration and this essentially constitutes the
Mossbauer spectroscopy

X-rays 102 - 104 eV/photon Inner shell electronic transition

Electron Spectroscopy, XPS, Auger
UV rays Valence Shell electronic transition in molecules
1- 102 eV/photon
Electronic Spectroscopy or UV-Vis Spectroscopy
Infrared rays Transition among vibrational levels of molecules
10-2 - 104 eV/photon Vibrational Spectroscopy or IR spectroscopy
Microwave rays Transition among rotational levels of molecules
10-5 – 10-3 eV/photon Rotational SPectroscopy
Radio waves Change of electron and nuclear spins in the magnetic field
10-9 – 10-6 eV/photon Nuclear Magnetic Resonance (NMR) & Electron Spin Resonance
Spectroscopy (ESR)

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FTIR Spectroscopy

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 FTIR or Vibrational Spectroscopy

• Functional Group Transformation can be easily detected by IR spectroscpoy

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 Introduction
• Deals with the Transitions within the vibrational levels of a molecule.

λ ranges from 800 nm to 3 mm (millimetre)

The region of 400-400 cm-1 is of special interest to the organic chemist since
most of the vibrational transitions of organic functional groups falls in this region

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Dr. Deepa Oberoi, PhD IITR 9
Use of IR Spectrum
1. Every type of bond in a molecule has a unique natural vibrational frequency
Thus, IR spectrum of every molecule is unique just like that of a finger print of human
beings.
2. Absorptions due to vibrational transitions of each bond is diff and confined to a small
portion of IR region.

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Possible Vibrations in a molecule
• 2 Types:

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Important condition for a mol to be IR active
Homonuclear diatomic molecules like H2, O2, N2 & Cl2 Inactive

Dipole moment must

change with vibrations
• For molecule containing N no of atoms, total degrees of freedom is 3N
• Translational = 3
• Rotational = 3 (for non-linear mol) and 2 (for linear mol)
• Vib = 3N-6

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Calculation of the vibrational frequencies
• Hooke’s Law:

• Where K is force constant ( bond order or bond strength)

• μ is the reduced mass

• Thus, stronger the bond, more is vibrational freq

• Higher the masses of atoms, lesser is vibrational freq

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Calculation of the vibrational frequencies

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 Calculation of the vibrational frequencies
• Effect of resonance on Freq.:
•

• Hooke’s law conversion to another form:

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Calculation of the vibrational frequencies

1. 2. 3.

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Instrumentation

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Preparation of Sample
• 1. Solid: NaCl, KBr plates, Nujol Mull (mineral oil).
• 2. Liquid: drop of sample on NaCl, KBr plates.
Plot of absorption intensity Vs wavelength or wavenumber is called Infrared
Spectrum

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Table

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What to look in a spectrum?
1. Is a carbonyl group present?
1820-1660 cm-1
2. if carbonyl present, then loo for following things:

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What to look in a spectrum?
3. If carbonyl is absent :

4. look for double and triple bonds:

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What to look in a spectrum?

5. NO2 group:

6. Hydrocarbon:

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Spectrum

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Spectrum

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Spectrum

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Spectrum

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Spectrum

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Spectrum

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Different types of –OH stretching bands

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Inter vs Intramolecular H-bonding, IR diff

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Spectrum

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Carbonyl Compounds

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Spectrum

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Spectrum

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Spectrum

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Spectrum

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Spectrum

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Spectrum

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Spectrum

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Spectrum

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Spectrum

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