1-Propyne, 1-bromo-3,3,3-trifluoro-


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
10.81 ± 0.02PEBieri, Heilbronner, et al., 1979

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 C≡C str 2243  C 2243 S gas 2236 M p liq.
a1 2 CF3 s-str 1275  C 1275 VS gas 1267 W liq.
a1 3 C-C str 883  C 883 S gas 879 S p liq.
a1 4 CBr str 687  C 687 S gas 684 M p liq.
a1 5 CF3 s-deform 285  D 285 M gas 292 VS liq.
e 6 CF3 d-str 1176  C 1176 VS gas 1155 W b liq.
e 7 CF3 d-deform 607  C 607 M gas 606 W liq.
e 8 CF3 rock 455  D 455 VW gas 452 S liq.
e 9 CCCBr deform 278  D 278 VW sh gas
e 10 CCCBr deform 90  D 90 VS dp liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
bBroad
shShoulder
pPolarized
dpDepolarized
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.

Bieri, Heilbronner, et al., 1979
Bieri, G.; Heilbronner, E.; Hornung, V.; Kloster-Jensen, E.; Maier, J.P.; Thommen, F.; von Niessen, W., Electronic states of substituted haloacetylene and cyanoacetylene radical cations, Chem. Phys., 1979, 36, 1. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

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