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CH3CD2CH3


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:   C2nu     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 CH3 d-str 2974  C 2974 gas
a1 2 CH3 s-str 2883  C 2883 gas
a1 3 CD2 s-str 2141  C 2141 gas
a1 4 CH3 d-deform 1459  C 1459 gas
a1 5 CH3 s-deform 1392  C 1392 gas
a1 6 CH3 rock 1207  D 1207 gas
a1 7 CD2 scis 1064  C 1064 gas
a1 8 CC str 843  C 843 gas
a1 9 CCC deform 362  E CF
a2 10 CH3 d-str 2956  E  ia OC(«nu»10+«nu»18)
a2 11 CH3 d-deform 1453  E  ia CF
a2 12 CH3 rock 1083  E  ia OC(«nu»12+«nu»16)
a2 13 CD2 twist 777  E  ia CF
a2 14 Torsion 208  E  ia OC(«nu»18-«nu»14 - ?/?)
b1 15 CH3 d-str 2974  C 2974 gas SF(«nu»1)
b1 16 CH3 s-str 2883  C 2883 gas SF(«nu»2)
b1 17 CH3 d-deform 1461  C 1461 gas
b1 18 CH3 s-deform 1374  C 1374 gas
b1 19 CC str 1203  C 1203 gas
b1 20 CH3 rock 964  C 964 gas
b1 21 CD2 wag 829  C 829 gas
b2 22 CH3 d-str 2963  C 2963 gas
b2 23 CD2 a-str 2182  C 2182 gas
b2 24 CH3 d-deform 1476  C 1476 gas
b2 25 CH3 rock 1146  C 1146 gas
b2 26 CD2 rock 622  C 622 gas
b2 27 Torsion 217  E CF ( ?/?)

Source: Shimanouchi, 1972

Notes

iaInactive
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.
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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