spec ir table for common chemical symbols
TRANSCRIPT
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7/26/2019 Spec IR table for common chemical symbols
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- _ _ - - = _ . .
: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
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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
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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
out-of-plane wagging
=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
out-of-plane wagging