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Acetic acid, methyl ester

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Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Takehiko Shimanouchi

Symmetry:   Cs     Symmetry Number sigma = 1


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a' 1 CH3(O) d-str 3035  D 3035 M gas 3028 liq.
a' 2 CH3(C) d-str 3031  E SF(«nu»2 )of 3OCD3
a' 3 CH3(O) s-str 2966  D 2966 S gas 2954 p liq.
a' 4 CH3(C) s-str 2964  E 2942 p liq. SF(«nu»4 )of 3OCD3
a' 5 C=O str 1771  C 1771 VS gas 1738 p liq.
a' 6 CH3(O) d-deform 1460  E 1460 W sh solid solid OV(«nu»20)
a' 7 CH3(O) s-deform 1440  D 1440 M gas
a' 8 CH3(C) d-deform 1430  E SF(«nu»8 )of 3OCD3
a' 9 CH3(C) s-deform 1375  D 1375 S gas 1372 p liq.
a' 10 C-O str 1248  C 1248 VS gas 1254 liq.
a' 11 CH3(O) rock 1159  E 1159 VW liq.
a' 12 O-CH3 str 1060  C 1060 S gas 1044 liq.
a' 13 CH3(C) rock 980  C 980 W gas 980 p liq.
a' 14 CC str 844  C 844 M gas 844 p liq.
a' 15 C=O ip-bend 639  C 639 M gas 640 p liq.
a' 16 CCO deform 429  C 429 M gas 433 p liq.
a 17 COC deform 303  D 303 M gas 303 p liq.
a 18 CH3(O) d-str 3005  D 3005 M gas 3002 liq.
a 19 CH3(C) d-str 2994  D 2994 W gas
a 20 CH3(O) d-deform 1460  E 1460 W sh solid solid 1449 dp liq. OV(«nu»6)
a 21 CH3(C) d-deform 1430  E 1430 W gas
a 22 CH3(O) rock 1187  D 1187 W gas 1187 liq.
a 23 CH3(C) rock 1036  E 1036 W sln.
a 24 C=O op-bend 607  D 607 M gas 610 dp liq.
a 25 C-O torsion 187  D 187 W gas
a 26 C-C torsion 136  E 136 VW liq.
a 27 O-CH3 torsion 110  E 110 VW liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
shShoulder
pPolarized
dpDepolarized
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
SFCalculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.
OVOverlapped by band indicated in parentheses.
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]


Notes

Go To: Top, Vibrational and/or electronic energy levels, References