Methyl-d3-acetate


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 d-str 2288  D 2288 M gas
a' 2 CH3 d-str 3031  D 3031 W gas
a' 3 CD3 s-str 2104  D 2104 M gas
a' 4 CH3 s-str 2964  D 2964 W gas
a' 5 C=O str 1769  C 1769 VS gas
a' 6 CD3 d-deform 1050  E 1050 W gas OV(«nu»20)
a' 7 CD3 s-deform 1106  C 1106 S gas
a' 8 CH3 d-deform 1430  E 1430 W solid solid OV(«nu»21)
a' 9 CH3 s-deform 1375  D 1375 S gas
a' 10 C-O str 1268  C 1268 VS gas
a' 11 CD3 rock 985  D 985 W gas
a' 12 O-CD3 str 1043  D 1043 M gas
a' 13 CH3 rock 947  C 947 M gas
a' 14 CC str 781  C 781 M gas
a' 15 C=O ip-bend 619  C 619 M gas
a' 16 CCO deform 420  C 420 M gas
a' 17 COC deform 270  D 270 M gas
a 18 CD3 d-str 2263  D 2263 M gas
a 19 CH3 d-str 2994  D 2994 W gas
a 20 CD3 d-deform 1050  D 1050 W gas OV(«nu»6)
a 21 CH3 d-deform 1430  E 1430 W solid solid OV(«nu»8)
a 22 CD3 rock 908  E 908 W gas
a 23 CD3 rock 1015  E 1015 W sh gas
a 24 C=O op-bend 600  D 600 W sh gas
a 25 C-O torsion 165  D 165 M gas
a 26 C-C torsion 136  E CF
a 27 O-CD3 torsion 81  E CF

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
shShoulder
CFCalculated frequency
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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