1,3-Butadiene, 1,1,4,4-tetradeutero-, (E)-


Gas phase ion energetics data

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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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference
9.0695SMcDiarmid, 1976

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 CH str 3010  D  ia 3010 M sln.
ag 2 CD2 a-str 2315  D  ia 2315 S sln.
ag 3 CD2 s-str 2212  D  ia 2212 S sln.
ag 4 C=C str 1610  D  ia 1610 VS sln.
ag 5 CH ip-bend 1296  D  ia 1296 S sln.
ag 6 C-C str 1170  D  ia 1170 S sln.
ag 7 CD2 scis 1040  D  ia 1040 S sln.
ag 8 CD2 rock 740  D  ia 740 W sln.
ag 9 CCC deform 457  D  ia 457 S sln.
au 10 CH op-bend 955  B 955.1 S gas  ia
au 11 CD2 wag 728  B 728.0 VS gas  ia
au 12 CD2 twist 397  C 397 W gas  ia
au 13 C-C torsion 149  E  ia CF
bg 14 CH op-bend 948  D  ia 948 M sln.
bg 15 CD2 wag 728  D  ia 728 S sln.
bg 16 CD2 twist 610  D  ia 610 VW sln.
bu 17 CH str 3041  C 3040.8 S gas  ia
bu 18 CD2 a-str 2350  D 2350 S gas  ia
bu 19 CD2 s-str 2228  C 2228 S gas  ia
bu 20 C=C str 1535  B 1535.0 S gas  ia
bu 21 CH ip-bend 1335  C 1335.2 M gas  ia
bu 22 CD2 scis 1031  C 1031.3 S gas  ia
bu 23 CD2 rock 817  C 816.5 M gas  ia
bu 24 CCC deform 258  C 258 W gas  ia

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
iaInactive
CFCalculated frequency
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 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.

McDiarmid, 1976
McDiarmid, R., On the ultraviolet spectrum of trans-1,3-butadiene, J. Chem. Phys., 1976, 64, 514. [all data]

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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