ANALIS SPEKTRA INFRA ED

MATA DIKLAT : KIMIA ORGANIK

KELAS XIII
SEMESTER GASAL

DISUSUN OLEH :
GINA LIBRIA N., S.Si., M.T

KEMENTERIAN PERINDUSTRIAN R.I

PUSAT PENDIDIKAN DAN PELATIHAN INDUSTRI
SEKOLAH MENENGAH KEJURUAN – SMAK BOGOR
2018

1
 Applications of Infrared Spectrometry

Infrared spectrometry is applied to the qualitative and

quantitative determination of molecular species of all
types. The most widely used region is the mid-infrared
that extends from about 670 to 4000 cm-1 (2.5 to 14.9
m). The near-infrared region from 4000 to 14,000 cm-1
(0.75 to 2.5 m) also finds considerable use for the
routine quantitative determination. The far-infrared
region has been for the determination of the structures
of inorganic and metal-organic species.
iii.) Types of Molecular Vibrations

Bond Stretching Bond Bending

symmetric In-plane rocking

asymmetric In-plane scissoring

Out-of-plane wagging

Out-of-plane twisting
 Qualitative Analysis
The appearance of I.R. instrument
revolutionized the way chemists went
about identifying organic, inorganic, and
biological species. Identification of an
organic compound is a two-step process.
The first step involves determining what
functional groups are most likely present by
examining the group frequency region.
 Qualitative Analysis
The second step then involves a detailed
comparison of the spectrum of the
unknown with the spectra of pure
compounds that contain all of the
functional groups found in the first step.
The fingerprint region, from 1200 to 600
cm -1 is particularly useful because small
differences in the structure and
constitution of a molecule result in
significant changes in the appearance and
distribution of absorption peaks in this
region.
 Qualitative Analysis
The “Fingerprint” Region: Small differences in the
structure and constitution of a molecule result in
significant changes in the distribution of absorption
peaks in this region of the spectrum that extends from
about 1200 to 700 cm-1. As a consequence, a close
match between two spectra in this fingerprint region
constitutes strong evidence for the identity of
compounds yielding the spectra. Exact interpretation of
spectra in this region is seldom possible because of the
complexity of the spectra.
iii.) Fingerprint Region (1200-700 cm-1)
- region of most single bond signals
- many have similar frequencies, so affect each other & give pattern characteristics of
overall skeletal structure of a compound
- exact interpretation of this region of spectra seldom possible because of complexity
- complexity  uniqueness Fingerprint Region
D) Application of IR

1.) Qualitative Analysis (Compound Identification)

- main application
- Use of IR, with NMR and MS, in late 1950’s revolutionized organic
chemistry
► decreased the time to confirm compound identification 10-
1000 fold
i.) General Scheme
1) examine what functional groups are present by looking at group
frequency region
- 3600 cm-1 to 1200 cm-1
Absorption Regions
ii.) Group Frequency Region
- approximate frequency of many functional groups (C=O,C=C,C-H,O-H) can be
calculated from atomic masses & force constants
- positions changes a little with neighboring atoms, but often in same general region
- serves as a good initial guide to compound identity, but not positive proof.
Abbreviated Table of Group Frequencies for Organic Groups
Bond Type of Compound Frequency Range, cm-1 Intensity
C-H Alkanes 2850-2970 Strong
C-H Alkenes H 3010-3095 Medium
C C
675-995 strong

C-H Alkynes C C H 3300 Strong

C-H Aromatic rings 3010-3100 Medium

690-900 strong
0-H Monomeric alcohols, phenols 3590-3650 Variable
Hydrogen-bonded alchohols, phenols 3200-3600 Variable, sometimes broad
Monomeric carboxylic acids 3500-3650 Medium
Hydrogen-bonded carboxylic acids 2500-2700 broad
N-H Amines, amides 3300-3500 medium
C=C Alkenes 1610-1680 Variable
C=C Aromatic rings 1500-1600 Variable
C C Alkynes 2100-2260 Variable
C-N Amines, amides 1180-1360 Strong
C N Nitriles 2210-2280 Strong
C-O Alcohols, ethers,carboxylic acids, esters 1050-1300 Strong
C=O Aldehydes, ketones, carboxylic acids, esters 1690-1760 Strong
NO2 Nitro compounds 1500-1570 Strong
1300-1370
CARA MENGINTERPRETASIKAN SPEKTRUM IR

1. Perhatikan ada tidaknya gugus C=O, 1820 – 1600 tajam

A. Asam karboksilat , OH 3500-3300
B. Amida, NH 3500 tajam
C. Ester, CO 1300 – 1000 tajam
D. Anhidrida, C=O kembar 1810 dan 1760
E. Aldehida, CH lemah/tajam 2850 – 2750
F. tidak ada semuanya berarti keton

1. C=O tidak ada , ujilah alcohol, serapan lebar pada 3500-3300, serapan CO 1300-1000
2. Ujilah amina. NH, serapan medium pada 3500
3. Ujilah eter CO, serapan 1300-1000 (BANDINGKAN DENGAN ALKOHOL)
4. C=C alkena 1650, CH dibawah 3000
5. C=C aromatic 1650 -1450, CH di atas 3000
6. CC alkuna, lemah tajam pada 2150
7. CN nitril medium tajam 2250
8. NO2, serapan kuat 1600-1500 dan 1390-1300
9. Bila semuanya tidak ada kemungkinan senyawa hidrokarbon
Example 9: The spectrum is for a substance with an empirical formula of C3H5N. What is the
compound?

Nitrile or No aromatics
Aliphatic
alkyne group One or more
hydrogens
alkane groups
Empirical Formula C3H6O
Empirical Formula C9H10O
Nitrogen containing compound