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2-Butyne

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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

Symmetry:   D'3h     Symmetry Number sigma = 6


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

a'1 1 CH3 s-str 2916  C  ia 2916 S p liq. Free rotation
a'1 2 C«equiv»C str 2240  E  ia 2310 S p liq. Free rotation, FR(2«nu»8)
a'1 2 C«equiv»C str 2240  E  ia 2233 S p liq. Free rotation, FR(2«nu»8)
a'1 3 CH3 s-deform 1380  C  ia 1380 S liq. Free rotation
a'1 4 C-C str 725  E  ia 774 M p liq. Free rotation, FR(2«nu»16)
a'1 4 C-C str 725  E  ia 693 M p liq. Free rotation, FR(2«nu»16)
a"1 5 CH3 torsion  ia  ia Free rotation
a"2 6 CH3 s-str 2938  B 2938 S gas  ia Free rotation
a"2 7 CH3 s-deform 1382  B 1382 M gas  ia Free rotation
a"2 8 C-C str 1152  B 1152 W gas  ia Free rotation
e' 9 CH3 d-str 2973  B 2973 S gas Free rotation
e' 10 CH3 d-deform 1456  B 1456 S gas Free rotation
e' 11 CH3 rock 1054  B 1054 M gas Free rotation
e' 12 CCC deform 213  C 213 VW liq. Free rotation
e 13 CH3 d-str 2966  D  ia 2966 W liq. Free rotation
e 14 CH3 d-deform 1448  C  ia 1448 M dp liq. Free rotation
e 15 CH3 rock 1029  C  ia 1029 M dp liq. Free rotation
e 16 CCC deform 371  C  ia 371 S dp liq. Free rotation

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
WWeak
VWVery weak
iaInactive
pPolarized
dpDepolarized
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
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

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