Propyne-d4


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:   C     Symmetry Number σ = 3


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

a1 1 CD str 2616  A 2616.3 VS gas
a1 2 CD3 s-str 2110  E 2121 M gas FR2+2ν7)
a1 2 CD3 s-str 2110  E 2077 M gas FR2+2ν7)
a1 3 C≡C str 2008  A 2008.4 W gas
a1 4 CD3 s-deform 1110  A 1110.1 M gas
a1 5 C-C str 810  E CF
e 6 CD3 d-str 2235  A 2234.8 M gas
e 7 CD3 d-deform 1048  A 1048.2 M gas
e 8 CD3 rock 834  A 834.4 W gas
e 9 CD bend 492  B 492 VS gas
e 10 CCC bend 294  B 294 M gas

Source: Shimanouchi, 1972

Notes

VSVery strong
MMedium
WWeak
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
CFCalculated frequency
A0~1 cm-1 uncertainty
B1~3 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.

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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