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Acetone-alpha, alpha, alpha-d3


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 3018  C 3017.5 S gas 3004.5 S liq.
a' 2 CH3 s-str 2922  C 2921.5 VS p liq.
a' 3 CD3 d-str 2265  C 2265 M gas 2256 S liq.
a' 4 CD3 s-str 2115  E 2150 gas 2141.5 VS p liq. FR(2«nu»9)
a' 4 CD3 s-str 2115  E 2095 VW gas 2095.5 S p liq. FR(2«nu»9)
a' 5 CO str 1734  C 1734 VS gas 1706 S liq.
a' 6 CH3 d-deform 1430  C 1430 S gas 1427.5 M liq.
a' 7 CH3 s-deform 1360  C 1360 VS gas 1361.5 VW liq.
a' 8 CC str 1225  C 1224.5 VS 1227.5 W liq.
a' 9 CD3 s-deform 1058  C gas 1057.5 W liq.
a' 10 CH3 rock 1021  C 1021 S 1029.5 W liq.
a' 11 CD3 d-deform 1003  C gas 1003 M p liq.
a' 12 CD3 rock 781  C 781 W gas 780.5 VW liq.
a' 13 CC str 740  C 735 W gas 740 VS p liq.
a' 14 CO ip-bend 502  C 501.5 S gas
a' 15 CCC deform 352  C 352 W gas 356.5 W liq.
a 16 CH3 d-str 2968  C 2968 S gas 2965 S liq.
a 17 CD3 d-str 2222  C 2222 M gas 2217.5 S liq.
a 18 CH3 d-deform 1447  C 1447 S gas
a 19 CH3 rock 1035  C 1035 S gas
a 20 CD3 d-deform 999  C 999 S gas
a 21 CD3 rock 764  D 764 M sln.
a 22 CO op-bend 438  C 438 gas 444 W liq.
a 23 CH3 torsion 106  E CF
a 24 CD3 torsion 78  E CF

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
pPolarized
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
CFCalculated frequency
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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