1,3-Butadiene-1-d1 (trans)


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 CH2 a-str 3100  C 3100.4 S gas 3090 M sln.
a' 2 CH str 3075  D 3075 W sln.
a' 3 CH str 3048  C 3047.9 S gas
a' 4 CH str 3021  C 3020.5 S gas
a' 5 CH2 s-str 3003  D 3003 M sln.
a' 6 CD str 2286  C 2285.9 M gas 2276 M sln.
a' 7 C=C str 1631  D 1631 VS sln.
a' 8 C=C str 1580  B 1579.7 S gas 1572 M sln.
a' 9 CH2 scis 1409  D 1409 VW sln.
a' 10 CH ip-bend 1304  E CF
a' 11 CH ip-bend 1288  D 1288 S sln.
a' 12 CH ip-bend 1270  C 1270 M gas 1272 VW sln.
a' 13 C-C str 1183  D 1185 W gas 1183 S sln.
a' 14 CH2 rock 964  D 964 W sln.
a' 15 CD ip-bend 793  D 793 W sln.
a' 16 CCC deform 511  D 511 M sln.
a' 17 CCC deform 288  C 288 VW gas
a 18 CH op-bend 1008  B 1008.0 VS gas
a 19 CH op-bend 960  B 959.9 S gas
a 20 CH2 wag 909  B 908.6 VS gas 921 M sln.
a 21 CH op-bend 849  B 849.2 S gas 862 M sln.
a 22 CH op-bend 674  C 673.9 VW gas
a 23 CH2 twist 464  C 464.0 W gas
a 24 C-C torsion 161  E CF

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
CFCalculated frequency
B1~3 cm-1 uncertainty
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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