Methyl acetate-d6


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 CD3(O) d-str 2285  D 2285 M gas
a' 2 CD3(C) d-str 2275  E SF(«nu»2 ) 3OCH3
a' 3 CD3(O) s-str 2099  D 2099 M gas
a' 4 CD3(C) s-str 2087  E SF(«nu»4 ) 3OCH3
a' 5 C=O str 1767  C 1767 VS gas
a' 6 CD3(O) d-deform 1059  E 1059 W gas OV(«nu»20)
a' 7 CD3(O) s-deform 1106  C 1106 S gas
a' 8 CD3(C) d-deform 1003  E 1003 W gas
a' 9 CD3(C) s-deform 1086  E SF(«nu»9 ) 3OCH3
a' 10 C-O str 1282  C 1282 VS gas
a' 11 CD3(O) rock 975  D 975 M gas
a' 12 O-CH3 str 1045  E 1045 W gas
a' 13 CD3(C) rock 828  E 828 W gas
a' 14 CC str 747  C 747 M gas
a' 15 C=O ip-bend 585  C 585 M gas
a' 16 CCO deform 334  C 334 M gas
a' 17 COC deform 266  D 266 M gas
a 18 CD3(O) d-str 2264  D 2264 M gas
a 19 CD3(C) d-str 2253  E SF(«nu»19 ) 3OCH3
a 20 CD3(O) d-deform 1059  D 1059 W gas OV(«nu»6)
a 21 CD3(C) d-deform 1038  E 1038 W gas
a 22 CD3(O) rock 908  E SF(«nu»22 ) 3OCD3
a 23 CD3(C) rock 925  D 925 M gas
a 24 C=O op-bend 522  D 522 M gas
a 25 C-O torsion 160  D 160 W gas
a 26 C-C torsion 100  E CF
a 27 O-CH3 torsion 80  E CF

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
CFCalculated frequency
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

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