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Infrared Spectroscopy
CONTENTS
Fundamental
Overtone and combination bands
Vibration coupling
Group frequencies for common functional group
References
Types of Vibrations
Infrared absorption
Selection rule:
A molecule will absorb infrared radiation if the
change in vibrational states is associated with
a change in the dipole moment () of the
molecule.
Vibrations which do not change the dipole
moment are Infrared Inactive (homonuclear
diatomics).
Absorption region
• In the region from  1300 to 400 cm-1,
vibration frequencies are affected by the
entire molecule, as the broader ranges for
group absorptions in the figure below –
fingerprint region.
• Absorption in this fingerprint region is
characteristic of the molecule as a whole. This
region finds widespread use for identification
purpose by comparison with library spectra.
Effect of hydrogen bonding
Hydrogen bonding alters the force constant of both
groups:
– the X–H stretching bands move to lower frequency
– the stretching frequency of the acceptor group (B) is also
reduced, but to a lesser degree
– The X–H bending vibration usually shifts to a shorter
wavelength
Stretching vibrations (carbonyl groups)
Structural unit Frequency, cm-1
Aldehydes and ketones1710-1750
Carboxylic acids 1700-1725
Acid anhydrides 1800-1850 and 1740-
1790
Esters 1730-1750
Amides 1680-1700
Stretching vibrations (single bonds)
sp C—H 3310-3320
sp2 C—H 3000-3100
sp3 C—H 2850-2950
sp2 C—O 1200
sp3 C—O 1025-1200
Stretching vibrations (single bonds)
O—H (alcohols) 3200-3600
O—H (carboxylic acids) 3000-3100
Stretching vibrations (single bonds)
sp2 C—O 1200
sp3 C—O 1025-1200
REFERENCES
Organic Spectroscopy, Principles and
Applications, Jag Mohan.
Infrared Spectroscopy, Fundamental and
Applications, Barbara Stuart.
infrared spectroscopy

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infrared spectroscopy

  • 2. CONTENTS Fundamental Overtone and combination bands Vibration coupling Group frequencies for common functional group References
  • 3.
  • 5. Infrared absorption Selection rule: A molecule will absorb infrared radiation if the change in vibrational states is associated with a change in the dipole moment () of the molecule. Vibrations which do not change the dipole moment are Infrared Inactive (homonuclear diatomics).
  • 7. • In the region from  1300 to 400 cm-1, vibration frequencies are affected by the entire molecule, as the broader ranges for group absorptions in the figure below – fingerprint region. • Absorption in this fingerprint region is characteristic of the molecule as a whole. This region finds widespread use for identification purpose by comparison with library spectra.
  • 8. Effect of hydrogen bonding Hydrogen bonding alters the force constant of both groups: – the X–H stretching bands move to lower frequency – the stretching frequency of the acceptor group (B) is also reduced, but to a lesser degree – The X–H bending vibration usually shifts to a shorter wavelength
  • 9. Stretching vibrations (carbonyl groups) Structural unit Frequency, cm-1 Aldehydes and ketones1710-1750 Carboxylic acids 1700-1725 Acid anhydrides 1800-1850 and 1740- 1790 Esters 1730-1750 Amides 1680-1700
  • 10. Stretching vibrations (single bonds) sp C—H 3310-3320 sp2 C—H 3000-3100 sp3 C—H 2850-2950 sp2 C—O 1200 sp3 C—O 1025-1200
  • 11. Stretching vibrations (single bonds) O—H (alcohols) 3200-3600 O—H (carboxylic acids) 3000-3100
  • 12. Stretching vibrations (single bonds) sp2 C—O 1200 sp3 C—O 1025-1200
  • 13.
  • 14. REFERENCES Organic Spectroscopy, Principles and Applications, Jag Mohan. Infrared Spectroscopy, Fundamental and Applications, Barbara Stuart.