CF3(CC)2CF3+

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: Marilyn E. Jacox

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 33160 ± 240 gas Delwiche, Praet, et al., 1977

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 19534 ± 3 gas A-X 448 595 Allan, Maier, et al., 1979
Klapstein, Maier, et al., 1982
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1g 1 CC stretch 2085 ± 5 gas LF Klapstein, Maier, et al., 1982
3 C-C stretch 1033 ± 5 gas LF Klapstein, Maier, et al., 1982
4 C-C stretch 743 ± 5 gas LF Klapstein, Maier, et al., 1982
5 CF3 deform. 232 ± 2 gas EF Allan, Maier, et al., 1979
Klapstein, Maier, et al., 1982

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1g 1 CC stretch 2239 ± 2 gas EF Allan, Maier, et al., 1979
Klapstein, Maier, et al., 1982
2 C-F stretch 1262 ± 2 gas EF Allan, Maier, et al., 1979
Klapstein, Maier, et al., 1982
3 C-C stretch 1095 ± 2 gas EF Allan, Maier, et al., 1979
Klapstein, Maier, et al., 1982
4 C-C stretch 752 ± 2 gas EF Klapstein, Maier, et al., 1982
5 CF3 deform. 235 ± 2 gas EF Klapstein, Maier, et al., 1982

Additional references: Jacox, 1994, page 307

Notes

oEnergy separation between the v = 0 levels of the excited and electronic ground states.

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.

Delwiche, Praet, et al., 1977
Delwiche, J.P.; Praet, Th.; Caprace, G.; Hubin-Franskin, M-J.; Natalis, P.; Collin, J.E., The photoelectron spectra of perfluoro-2-butyne and perfluorohexa-2,4-diyne. The perfluorination effect, J. Electron Spectrosc. Relat. Phenom., 1977, 12, 395. [all data]

Allan, Maier, et al., 1979
Allan, M.; Maier, J.P.; Marthaler, O.; Stadelmann, J.-P., Emission spectra of the radical cations of difluorodiacetylene, perfluoropentadiyne-1,3, and perfluorohexadiyne-2,4 in the gas phase: ?→? band systems and the lifetimes of the ? states, J. Chem. Phys., 1979, 70, 11, 5271, https://doi.org/10.1063/1.437309 . [all data]

Klapstein, Maier, et al., 1982
Klapstein, D.; Maier, J.P.; Misev, L.; Thommen, F.; Zambach, W., J. Chem. Soc., 1982, Faraday Trans. 2 78, 1765. [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Notes

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