1,3-Butadiene-d6

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:   C2h     Symmetry Number σ = 2
 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase
ag 1 CD2 a-str 2320  D  ia 2320 M sln.
ag 2 CD str 2250  D  ia 2250 M sln.
ag 3 CD2 s-str 2210  D  ia 2210 M sln.
ag 4 C=C str 1580  D  ia 1580 VS sln.
ag 5 C-C str 1196  D  ia 1196 M sln.
ag 6 CD2 scis 1045  D  ia 1045 W sln.
ag 7 CD ip-bend 918  D  ia 918 S sln.
ag 8 CD2 rock 746  D  ia 746 M sln.
ag 9 CCC deform 439  D  ia 439 S sln.
au 10 CD op-bend 741  B 741.4 W gas  ia
au 11 CD2 wag 718  B 718.4 S gas  ia
au 12 CD2 twist 381  C 381.1 W gas  ia
au 13 C-C torsion 140  C 140 VW gas  ia
bg 14 CD op-bend 799  D  ia 799 S sln.
bg 15 CD2 wag 705  D  ia 705 S sln.
bg 16 CD2 twist 603  D  ia 603 VW sln.
bu 17 CD2 a-str 2320  D 2320.3 M gas  ia
bu 18 CD str 2266  C 2265.9 M gas  ia
bu 19 CD2 s-str 2218  C 2218.0 M gas  ia
bu 20 C=C str 1520  B 1519.6 S gas  ia
bu 21 CD2 scis 1048  C 1048.0 W gas  ia
bu 22 CD ip-bend 1005  C 1005.4 M gas  ia
bu 23 CD2 rock 769  D 768.9 W sln.  ia
bu 24 CCC deform 250  C 250 W gas  ia

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
iaInactive
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 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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