Infrared spectroscopy correlation table explained

An infrared spectroscopy correlation table (or table of infrared absorption frequencies) is a list of absorption peaks and frequencies, typically reported in wavenumber, for common types of molecular bonds and functional groups.[1] [2] In physical and analytical chemistry, infrared spectroscopy (IR spectroscopy) is a technique used to identify chemical compounds based on the way infrared radiation is absorbed by the compound.

The absorptions in this range do not apply only to bonds in organic molecules. IR spectroscopy is useful when it comes to analysis of inorganic compounds (such as metal complexes or fluoromanganates) as well.[3]

Group frequencies

Tables of vibrational transitions of stable[4] and transient molecules[5] are also available.

BondType of bondSpecific type of bondAbsorption peak (cm−1)Appearance
C─Halkylmethyl1260strong
1380weak
2870medium to strong
2960medium to strong
methylene1470strong
2850medium to strong
2925medium to strong
methine2890weak
vinylC═CH2900strong
2975medium
3080medium
C═CH3020medium
monosubstituted alkenes900strong
990strong
cis-disubstituted alkenes670–700strong
trans-disubstituted alkenes965strong
trisubstituted alkenes800–840strong to medium
aromaticbenzene/sub. benzene3070weak
monosubstituted benzene700–750strong
690–710strong
ortho-disub. benzene750strong
meta-disub. benzene750–800strong
860–900strong
para-disub. benzene800–860strong
alkynesany3300medium
aldehydesany2720medium
2820
C═Cacyclic C═Cmonosub. alkenes1645medium
1,1-disub. alkenes1655medium
cis-1,2-disub. alkenes1660medium
trans-1,2-disub. alkenes1675medium
trisub., tetrasub. alkenes1670weak
conjugated C═Cdienes1600strong
1650strong
with benzene ring1625strong
with C═O1600strong
C═C (both sp2)any1640–1680medium
aromatic C═Cany1450weak to strong (usually 3 or 4)
1500
1580
1600
C≡Cterminal alkynes2100–2140weak
disubst. alkynes2190–2260very weak (often indistinguishable)
C=Oaldehyde/ketonesaturated aliph./cyclic 6-membered1720
α,β-unsaturated1685
aromatic ketones1685
cyclic 5-membered1750
cyclic 4-membered1775
aldehydes1725influenced by conjugation (as with ketones)
carboxylic acids/derivatessaturated carboxylic acids1710
unsat./aromatic carb. acids1680–1690
esters and lactones1735influenced by conjugation and ring size (as with ketones)
anhydrides1760
1820
acyl halides1800
amides1650associated amides
carboxylates (salts)1550–1610
amino acid zwitterions1550–1610
O─Halcohols, phenolslow concentration3610–3670
high concentration3200–3400broad
carboxylic acidslow concentration3500–3560
high concentration3000broad
N─Hprimary aminesany3400–3500strong
1560–1640strong
secondary aminesany>3000weak to medium
ammonium ionsany2400–3200multiple broad peaks
C─Oalcoholsprimary1040–1060strong, broad
secondary~1100strong
tertiary1150–1200medium
phenolsany1200
ethersaliphatic1120
aromatic1220–1260
carboxylic acidsany1250–1300
estersany1100–1300two bands (distinct from ketones, which do not possess a C─O bond)
C─Naliphatic aminesany1020–1220often overlapped
C═Nany1615–1700similar conjugation effects to C═O
C≡N (nitriles)unconjugated2250medium
conjugated2230medium
R─N─C (isocyanides)any2165–2110
R─N═C═S (isothiocyanates)any2140–1990
C─Xfluoroalkanesordinary1000–1100
trifluoromethyl1100–1200two strong, broad bands
chloroalkanesany540–760weak to medium
bromoalkanesany500–600medium to strong
iodoalkanesany500medium to strong
N─Onitro compoundsaliphatic1540stronger
1380weaker
aromatic1520lower if conjugated
1350
P─COrganophosphorus compoundaromatic1440-1460medium
P─Ophosphorus oxidebonded1195-1250strong
free1250-1300strong

See also

Notes and References

  1. Book: George Socrates. Infrared and Raman Characteristic Group Frequencies: Tables and Charts. 5 December 2012. 12 April 2004. John Wiley & Sons. 978-0-470-09307-8. 18–.
  2. Book: Peter Larkin. Infrared and Raman Spectroscopy; Principles and Spectral Interpretation. 5 December 2012. 25 May 2011. Elsevier. 978-0-12-386984-5.
  3. Book: Kazuo Nakamoto. Infrared and Raman Spectra of Inorganic and Coordination Compounds, Applications in Coordination, Organometallic, and Bioinorganic Chemistry. 13 December 2012. 16 January 2009. John Wiley & Sons. 978-0-470-40587-1. 9–.
  4. Book: NSRDS-NBS: National Standard Reference Data Series, National Bureau of Standards. 13 December 2012. June 1972. U.S. Government Printing Office.
  5. Jacox. Marilyn E.. Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules. Supplement B. Journal of Physical and Chemical Reference Data. 32. 1. 2003. 1–441. 0047-2689. 10.1063/1.1497629. 2003JPCRD..32....1J.