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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

Gas     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 OH str 3690  D 3690 S gas
a' 2 CD3 d-str 2260  E 2260 M sh gas
a' 3 CD3 s-str 2077  C 2077 S gas
a' 4 CD3 d-deform 1047  D 1047 W gas
a' 5 CD3 s-deform 1134  C 1134 VS gas
a' 6 OH bend 1297  C 1297 VS gas
a' 7 CD3 rock 858  C 858 M gas
a' 8 CO str 988  C 988 VS gas
a 9 CD3 d-str 2235  D 2235 S gas
a 10 CD3 d-deform 1075  C 1075 W gas
a 11 CD3 rock 877  D 877 M gas
a 12 Torsion 256  E CF

Source: Shimanouchi, 1972

Liquid     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 OH str 3310  D 3310 S vb liq. 3350 W vb liq.
a' 2 CD3 d-str 2235  D 2235 M liq. 2230 M dp liq. Value obtained in vitreous solid (-«nu»180 )degrees C)
a' 3 CD3 s-str 2078  C 2078 S liq. 2074 VS p liq.
a' 4 CD3 d-deform 1069  C 1069 W liq. 1072 M dp liq. OV(«nu»10)
a' 5 CD3 s-deform 1122  C 1122 VS liq. 1127 M p liq.
a' 6 OH bend 1391  C 1391 S b liq. 1360 VW liq.
a' 7 CD3 rock 882  C 882 M liq. 894 M dp liq. OV(«nu»11)
a' 8 CO str 982  C 982 VS liq. 986 VS p liq.
a 9 CD3 d-str 2213  D 2213 M liq. 2213 VW liq. Value obtained in vitreous solid (-«nu»180 )degrees C)
a 10 CD3 d-deform 1069  C 1069 W liq. 1072 M dp liq. OV(«nu»4)
a 11 CD3 rock 882  D 882 M liq. 894 M dp liq. OV(«nu»7)
a 12 Torsion 665  D 665 S vb liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
bBroad
vbVery broad
shShoulder
pPolarized
dpDepolarized
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

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