Spec IR table for common chemical symbols

7/26/2019 Spec IR table for common chemical symbols

1/4

- _ _ - - = _ . .

:11 listing of Some Functional Groups and Classes of Compounds

rption Frequencies in the Infrared

Frequency Ranges

cm:t) and

Intensities

*

:

or

Class

Il

es

R-C

\

X

~atic

omatic

hols

::r imary

-CH

2

OH

Secondary

-CHROH

Tertiary

-CRPH

General

-OH

1810-1790

(s)

965-920

(m)

440-420 s)

1785-1765

s)

890-850 (s)

3640-3630 (s)

1060-1030 (s)

3630-3620 (s)

1120-1080 (s)

3620-3610 (s)

1160-1120 (s)

3350-3250 (s)

Aldehydes

1440-1260 (m-s, b r)

700-600 (m-s, br)

2830-2810 (m)}

2740-2720 (rn)

1725-1695 (vs)

1440-1320 (s)

695-635 (s)

565-520 (s)

Alkenes

Monosubst -CH=CH

2

Disubst -CH=CH-

\

C=CH

\

C=CH-

C=C

Trisubst 3050-3000

(w)

1690-1655 (w-m)

850-790 (m)

1690-1670

(w)etrasubst

Alkyl 2980-2850 (m)

1470-1450 (m)

1400-1360 (m)

740-720

(w)

3300-3250 (m-s)

2250-2100 (w-m)

680-580 (s)

Alkynes RC=C-H

Amides

Primary -CONH

2

3540-3520 (m)

3400-3380 (m)

1680-1660 (vs)

1650-1610 (m)

Secondary -CONHR

1420-1400

(m-s)

3440-3420 (m)

1680-.1640 (vs)

1560-1530 (vs)

1310-1290 (m)

710-690 (rn)

Assignment and Remarks

C=O stretch; fluorides 50 cm-

1

higher

C-C stretch

CI-C=O in-plane deformation

C=O stretch; also aweaker band

(1750-

1735 crrr ) due to Fermi resonance

C-C stretch (Ar-C) or C-CI stretch

OHstretch, dil CCI

4

soln

C-OH stretch; lowered by unsaturation

OHstretch, dil CCI

4

soln

C-OH stretch; lower when Ris a branched

chain or cyclic

OHstretch, dil CCI

4

soln

C-OH stretch; lower when R is branched

OHstretch; broad band in pure solids or

liquids

C-OH in-plane bend

C-OH out-of-plane deformation

Fermi doublet; CHstretch with overtone

of CHbend

C=O stretch; slightly higher in CCI

4

soln

H-C=O bend in aliphatic aldehydes

C-C-CHO bend

C-C=O bend

See Vinyl

See Vinylene

See Vinylidene

CHstretch

C=C stretch

CHout-of-plane bending

C=C stretch, may be absent for symme-

trical compounds

CHstretch, several bands

CH

2

deformation

CH

3

deformation

CH

2

rocking

Terminal -C-H stretch

C-C, frequency raised by conjugation

-C-CH bend

NH2stretch (dil solns); bands shift to

3360-3340 and 3200-3180 in solid

C=O stretch (Amide I band)

NH2deformation; sometimes appears asa

shoulder (Amide II band)

C-N stretch (Amide III band)

NHstretch (dil soln); shifts to

3300-3280

in

pure liquid or solid

C=O stretch (Amide I band)

NHbend (Amide II band)

C-N stretch

Assignment uncertain

*KEV :

s

=

strong; m

=

medium; w

=

weak; v

=

very; br

=

broad.

Continued


2/4

19

Part II/Vibrational Spectroscopy

TABLE 8-2

An Alphabetical Listing of Some Functional Groups and Classes of Compounds

with Their Absorption Frequencies in the Infrared-cont d

Groups

or

Class

Frequency Ranges

crrt:) and

intensities

Assignment and Remarks

Amides-contd

Tertiary -CONR2

General -CONR

2

Amines

Primary -NH

2

Secondary -NHR

Tertiary -NR

2

Amine hydrohalides

Amino acids

RNH +X-

+ 3

R NH2RX

i

-C-COOH

Anhydrides -CO

\

-CO

Aromatic compounds

+

Azides -N=N=N

Bromo -C-Br,

tert-Butyl (CH3)3C-

Carbodiimides

-N=C=N-

Carbonyl \C=O

Carboxylic acids

Chloro -C-CI

Cycloalkanes

16701640 vs

630-570 (s)

615-535 (s)

520-430 (m-s)

3460-3280 (m)

2830-2810 (rn)

1650-1590 (s)

3350 3300 vw)

1190-1130 (m)

740-700 (m)

450-400 (w, br)

510-480 (s)

2800-2300 (m-s)

1600-1500 (m)

3200-3000 (s)

1600-1590 (s)

1550-1480 (m-s)

1425-1390 (w-m)

560-500 (s)

3350 3050 vs

1430-1390 (s)

1850-1780 (variable)

1770-1710 (m-s)

1220 1180 vs

3100-3000 (m)

2000-1660 (w)

1630-1430 (variable)

900-650 (s)

580-420 (rn-s)

2160-2080 (s)

650-500 (rn)

2980-2850 (m)

1400-1370 (rn)

and 1380-1360

s)

21502100 vs

1870 1650 vs, br)

3550-3500 (s) I

3300-2400 (s.

v

or) I

1800-1740(s) ,

~~

700-590 (s)

550-465 (s)

850-550 (m)

580-430 (s)

C=O stretch

N-C=O bend

C=O out-of-plane bend

C-C=O bend

NHstretch; broad band, may h ve some

structure

CHstretch

NH2deformation

NHstretch

C-N stretch

NHdeformation

C-N-C bend

C-N-C bend

NH3

+

stretch, several peaks

NHdeformation (one or two bands)

H-bonded NH2and OHstretch;

v

broad band

in solid state

COO- antisym stretch

-NH/ deformation

COO- sym stretch

COO- rocking

NHstretch; broad band

NH2deformation; sharp peak

Antisym C=O stretch

Sym C=O stretch

C-O-C stretch (higher in cyclic anhydrides)

CHstretch, several peaks

v ertone and combination bands

Aromatic ring stretching (four bands)

Out-of-plane CHdeformations (one or two

bands depending on substitution)

Ring deformations (two bands)

N=N=N stretch

C-Br stretch

CHstretch; several bands

CH3deformations

N=C=N antisym stretch

C=O stretch

OHstretch (monomer, dil soln)

H-bonded OHstretch (solid and liquid states)

C~O stretch of monomer (dil soln)

C=O stretch of dimer (solid and liquid states)

960-910 (s) C-OH deformation

O-C=O bend

C-C=O bend

C-CI stretch

Ring deformation


3/4


4/4

Groups or Class Assignment and Remarks

TABLE 8 2

An Alphabetical Listing of Some Functional Groups and Classes of Compounds

with Their Absorption Frequencies in the Infrared-cont d

Phenyl-co ntd

Phosphates (RO)3P=0

R

alkyl

R

aryl

Phosphines -PH

2

, -PH

Silanes -SiH3

-SiH

2

-

Silanes (fully substituted)

Sulfates R-O-S0

2

-O-R

R-O-S0

3

-M+

M

=

Na , K+, etc.)

Sulfides C-S-

Sulfones -S02-

Sulfonic acids -S0zOH

\

Sulfoxides s=o

Thiocyanates -S-C=N

Thiols -S-H

Triazines C

3

N

2

Y3

1,3,4,5-trisubst

Vinyl -CH=CH

2

Vinylene -CH=CH-

.Vinylidene

\

C=CH

Frequency Ranges

crrr+) and

Intensities *

1625-1430 (m-s)

1250-1025 (m-s)

770730

(vs)

710690

vs

560-420 (m-s)

1285 1255 vs

1050 990

lis

13151290 vs

12401190

vs

2410-2280 (m)

1100-1040 (w-m)

700-650 (m-s)

3080-3020 (m)

16201580

vs

and 1590-1560

vs

840-720 (s)

635-605 (m-s)

2160-2110 (m)

950-800 (s)

1280-1250 (m-s)

1110-1050

vs

840-800 (m)

1140-1350

s)

and 1230-1150 (s)

12601210 vs

and 810-770 (s)

710-570 (m)

13601290

vs

11701120

vs

610-545 (ms)

1250 1150

(vs,

br)

1060-1030(s, br)

610-545 (m-s)

2175-2160 (m)

650-600 (w)

405-400 (s)

2590-2560 (w)

700-550 (w)

16001500

vs

13801350

vs

820-800 (s)

3095-3080 (rn)

and 3030-2980 (w-m)

1850-1800 (w-m)

1645-1615 (m-s)

1000-950 (s)

950900

vs

3040-3010 (m9

1665-1635 (w-m)

1675-1665 (w-m)

730-665 (s)

980-955 (s) .

3095-3075 (m)

1665-1620 (w-m)

895-885 (s)

Aromatic C=C stretches (four bands)

CHin-plane bending

five

bands)

CHout-of-plane bending

Ring deformation

Ring deformation

P=O stretch

P-O-C stretch

P=O stretch

P-O-C stretch

P-H stretch

P-H deformation

P-C stretch

CHstretch

C-C and C-N stretches

CHout-of-plane deformation (one or two

bands, depending on substitution)

In-plane ring bending

Si-H stretch

Si-H deformation

Si-C stretch

Si-O-C stretch (aliphatic)

Si-O-C deformation

S-O stretches in covalent sulfates

S=O stretches in alkyl sulfate salts

C-O-S stretch

C-S stretch

S02 antisym stretch

S02sym stretch

S02 scissor mode

S=O stretch

S=O stretch

S02 scissoring

C=N stretch

S-CN stretch

S-C=N bend

S-H stretch; strong in Raman

C-S stretch; strong in Raman

Ring stretching

Ring stretching

CHout-of-plane deformation

=CH

2

stretching

=CH stretching

Overtone

of CH

2

out-of-plane wagging

C=C stretch

CHout-of-plane deformation

CH

2


=CH

2

stretching

C=C stretch (cis isomer)

C=C stretch (trans isomer)

CHout-of-plane deformation (cis isomer)

CHout-of-plane deformation (trans isomer

=CH

2

stretching

C=C stretch

CH

2


Spec IR table for common chemical symbols

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