INTERPRETATION OF

INFRARED SPECTRA

GUIDED BY:
Dr.Sk.Abdul Rehman
M.Pharm, Ph D

PRESENTEDBY:
R.Keerthi
M.Pharm 1 st year

DEPARTMENT: Pharmaceutical analysis

Outline

Features of an ideal IR Spectrum

Information could be obtained

Requirements for the interpretation
General rules of interpretation
Illustration

Features of an IR
Spectrum
Absorption (Band) spectrum
Spectrum between percent transmittance (% T)

and wave number ()

Wave number () represents frequency () of IR
absorption
Two regions of absorption :
FGR (4000-1500 cm -1): Identification of groups
FPR (1500-400 cm-1): Molecular fingerprint
(Spectral matching)
Nature (Intensity and Shape) of spectral bands :
Strong (s), medium (m), weak (w); Broad and
Narrow

Different types of IR
Bands

Information Obtained from an

Unknown IR Spectra
IR is most useful in providing information

about the presence or absence of specific

functional groups (FGR)
IR can provide a molecular fingerprint

that can be used for the identification of

samples (FPR)

Interpretation of Spectra
Spectral Requirements
The spectrum must be adequately resolved and of

adequate intensity.
The spectrum should be of a pure compound.
The spectrophotometer should be calibrated so
that the bands are observed at their proper
frequencies or wavelength.
The method of sample handling must be specified.
If a solvent is employed, the solvent
concentration, and the cell thickness should be
indicated.

Correlation Chart and

Tables
O-H

3400cm-1

CC

2150cm-1

N-H

3400cm-1

C=O

1715cm-1

C-H

3000cm-1

C=C

1650cm-1

CN

2250cm-1

C-O

1100cm-1

Typical Infrared Absorption

Regions
WAVELENGTH (m)
2.5

O-H

C-H

6.1

C=O

C N

N-H

5.5

C C
X=C=Y

Very
few
bands

(C,O,N,S)
4000

2500

2000

6.5

C-Cl
C-O
C=C
C-N
C-C
N=O N=O *
C=N

1800 1650

FREQUENCY (cm-1)

15.4

1550

650

Absorption Regions

BASE VALUES
-1
(+/- 10 cm )

O-H
N-H
C-H

3600
3400
3000

C N
C C

2250
2150

C=O
C=C

1715
1650

C O

~1100

These are
the minimum
number of
values to
memorize.

large range

Simple Approach to the Analysis of Spectrum

at a Glance
( General Rules)

Look if carbonyl group is present?...... The

C=O gives strong absorption in the region

1820-1660 cm-1
If C=O is present, check for the presence of

following group.....

Acids
(O-H)

a broad band near 3400-2400 cm-1

Amides
(N-H)

medium absorption near 3400 cm-1 & some

times double dips with equivalent halves

Ester
(C-O)

strong absorption near 1300-1000 cm-1.

Anhydrid
es
(c-o)

Gives two C-O absorption near 1810-1760 cm-1

Aldehyde show two weak absorption near 2850 and 2750

(C-H)
cm-1.
Ketones
(C-R)

If none of the above is present, conforms the

presence of ketones

If C=O is absent,
Alcohols and Phenols: Check for O-H,
show broad absorption near 3400-3300 cm-1.
confirm this by finding C-O near 13001000cm-1.
Amines: N-H stretch, show medium
absorption near 3400 cm-1 (1O 2 bands, 2O1 band)
Ethers: C-O near 1300-1000cm-1,and also
absence of O-H near 3400cm-1

 Double bonds and / or Aromatic ring:

C=C is a weak absorption near 1650 cm-1

Medium to strong absorption 1600-1450 cm-1

Aromatic C-H occurs to left of the 3000 cm-1

Aliphatic C-H occurs to right of 3000 cm-1

Triple bonds:

CN medium, sharp absorption near 2250 cm-1

CC weak sharp absorption near 2150 cm-1

Nitro groups
Two absorptions at 1600-1530 cm -1 & 1390-1300 cm-1

Hydrocarbons
None of the preceding is found
Major absorptions are in C-H region near 3000 cm -1
Very simple spectrum

Illustrations
Taking example of drugs

References :
www2.ups.edu/faculty/hanson/Spectroscopy/I

R/IRInterpretation.htm
chemwiki.ucdavis.edu ... Infrared
Spectroscopy
chemistry.oregonstate.edu/courses/ch361464/ch362/irinterp.htm
infrared.als.lbl.gov/BLManual/IR_Interpretat
ion.pdf