C6H5CCH+

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:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 17834 gas Xu, Johnson, et al., 2006
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 6 1548 gas PRI Xu, Johnson, et al., 2006
7 1467 gas PRI Xu, Johnson, et al., 2006
8 1147 gas PRI Xu, Johnson, et al., 2006
9 1116 gas PRI Xu, Johnson, et al., 2006
10 996 gas PRI Xu, Johnson, et al., 2006
11 939 gas PRI Xu, Johnson, et al., 2006
13 448 gas PRI Xu, Johnson, et al., 2006
b1 18 843 gas PRI Xu, Johnson, et al., 2006
21 CH wag 479 gas PRI Xu, Johnson, et al., 2006
22 368 gas PRI Xu, Johnson, et al., 2006
23 CC wag 335 gas PRI Xu, Johnson, et al., 2006
24 126 gas PRI Xu, Johnson, et al., 2006
b2 34 539 gas PRI Xu, Johnson, et al., 2006
36 148 gas PRI Xu, Johnson, et al., 2006

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 5 CC stretch 2040 gas TPI Kwon, Kim, et al., 2003
6 1604 gas TPI Kwon, Kim, et al., 2003
7 1435 gas TPI Kwon, Kim, et al., 2003
8 1249 gas TPI Kwon, Kim, et al., 2003
9 1185 gas TPI Kwon, Kim, et al., 2003
11 979 gas TPI Kwon, Kim, et al., 2003
12 747 gas TPE TPI Dyke, Ozeki, et al., 1992
Kwon, Kim, et al., 2003
13 458 gas TPE TPI Dyke, Ozeki, et al., 1992
Kwon, Kim, et al., 2003
a2 14 989 gas TPI Kwon, Kim, et al., 2003
15 795 gas TPI Kwon, Kim, et al., 2003
16 346 gas TPI Kwon, Kim, et al., 2003
b1 17 996 gas TPI Kwon, Kim, et al., 2003
19 795 gas TPI Kwon, Kim, et al., 2003
20 706 gas TPI Kwon, Kim, et al., 2003
21 CH wag 622 gas TPI Kwon, Kim, et al., 2003
23 CC wag 303 gas TPI Kwon, Kim, et al., 2003
24 110 gas TPI Kwon, Kim, et al., 2003
b2 27 1505 gas TPI Kwon, Kim, et al., 2003
30 1287 gas TPI Kwon, Kim, et al., 2003
31 1158 gas TPI Kwon, Kim, et al., 2003
32 1076 gas TPI Kwon, Kim, et al., 2003
33 CH rock 658 gas TPI Kwon, Kim, et al., 2003
34 561 gas TPI Kwon, Kim, et al., 2003
35 CC deform. 499 gas TPE TPI Dyke, Ozeki, et al., 1992
Kwon, Kim, et al., 2003
36 143 gas TPI Kwon, Kim, et al., 2003

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.

Xu, Johnson, et al., 2006
Xu, H.; Johnson, P.M.; Sears, T.J., Photoinduced Rydberg Ionization Spectroscopy of Phenylacetylene: Vibrational Assignments of the C State of the Cation, J. Phys. Chem. A, 2006, 110, 25, 7822, https://doi.org/10.1021/jp061467k . [all data]

Kwon, Kim, et al., 2003
Kwon, C.H.; Kim, H.L.; Kim, M.S., Vibrational Analysis of Vacuum Ultraviolet Mass-Analyzed Threshold Ionization Spectra of Phenylacetylene and Benzonitrile, J. Phys. Chem. A, 2003, 107, 50, 10969, https://doi.org/10.1021/jp036391w . [all data]

Dyke, Ozeki, et al., 1992
Dyke, J.M.; Ozeki, H.; Takahashi, M.; Cockett, M.C.R.; Kimura, K., A study of phenylacetylene and styrene, and their argon complexes PA-Ar and ST-Ar with laser threshold photoelectron spectroscopy, J. Chem. Phys., 1992, 97, 8926. [all data]

Notes

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