Acetic acid-d1


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 d-str 3039  B 3039 VW gas
a' 2 CH3 s-str 2952  B 2952 VW gas
a' 3 OD str 2642  B 2642 M gas
a' 4 C=O str 1775  B 1775 VS gas
a' 5 CH3 d-deform 1440  C 1440 sh gas SF(«nu»14)
a' 6 CH3 s-deform 1383  B 1383 S gas
a' 7 C-O str 1270  B 1270 S gas
a' 8 CH3 rock 990  D 990 sh gas
a' 9 OD bend 955  B 955 S gas
a' 10 CC str 840  B 840 W gas
a' 11 OCO deform 609  B 609 M gas
a' 12 CCO deform 543  B 543 M gas
a 13 CH3 d-str 2997  D 2997 VW gas
a 14 CH3 d-deform 1440  C 1440 sh gas SF(«nu»5)
a 15 CH3 rock 1052  B 1052 W gas
a 16 C=O ip-bend 603  B 603 M gas
a 17 C-O torsion 415  B 415 M gas
a 18 CH3 torsion 93  E CF

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
shShoulder
CFCalculated frequency
SFCalculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

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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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