Propyne-3,3,3-d1


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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference
10.62 ± 0.05EICollin and Lossing, 1958

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3D3+12.16 ± 0.06HEICollin and Lossing, 1958 
C3HD2+12.22 ± 0.05DEICollin and Lossing, 1958 

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 CH str 3336  A 3335.8 S gas
a1 2 CD3 s-str 2110  E 2121.0 M gas FR2+2ν7)
a1 2 CD3 s-str 2110  E 2077.0 M gas
a1 3 C≡C str 2142  A 2142.0 M gas
a1 4 CD3 s-deform 1115  B 1115 M gas
a1 5 C-C str 830  B 830 W gas OV8)
e 6 CD3 d-str 2235  A 2234.9 M gas
e 7 CD3 d-deform 1048  A 1048.2 M gas
e 8 CD3 rock 835  A 835.4 W gas OV5)
e 9 CH bend 633  B 633 S gas
e 10 CCC bend 305  B 304.5 M gas

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
WWeak
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
OVOverlapped by band indicated in parentheses.
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.

Collin and Lossing, 1958
Collin, J.; Lossing, F.P., Mass spectra of propyne and propyne-d3, and the appearance potentials of C3H4+, C3H3+ and equivalent deuterated ions, J. Am. Chem. Soc., 1958, 80, 1568. [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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