ClCCCN+

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:   D
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 56500 ± 500 gas Bieri, Heilbronner, et al., 1979

State:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 31900 ± 500 gas Bieri, Heilbronner, et al., 1979
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
480 ± 80 gas PE Bieri, Heilbronner, et al., 1979

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 20352 ± 3 gas Leutwyler, Maier, et al., 1985
To = 20392 ± 16 Ne B-X 446 490 Leutwyler, Maier, et al., 1985
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σ+ 2 CC stretch 1990 ± 20 Ne AB Leutwyler, Maier, et al., 1985
3 C-C stretch 970 ± 80 gas PE Bieri, Heilbronner, et al., 1979
4 CCl stretch 538 ± 20 Ne AB Leutwyler, Maier, et al., 1985

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 18870 ± 160 gas Bieri, Heilbronner, et al., 1979
To = 19662 ± 16 Ne A-X 461 509 Leutwyler, Maier, et al., 1985
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σ+ 2 CC stretch 2007 ± 20 Ne AB Leutwyler, Maier, et al., 1985
4 CCl stretch 471 ± 20 Ne AB Leutwyler, Maier, et al., 1985

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
2140 ± 80 gas PE Bieri, Heilbronner, et al., 1979
CCl stretch 500 ± 80 gas PE Bieri, Heilbronner, et al., 1979

Additional references: Jacox, 1994, page 281; Kuhn, Maier, et al., 1984

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.

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]

Leutwyler, Maier, et al., 1985
Leutwyler, S.; Maier, J.P.; Spittel, U., J. Chem. Soc., 1985, Faraday Trans. 2 81, 1565. [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]

Kuhn, Maier, et al., 1984
Kuhn, R.; Maier, J.P.; Thommen, F., Photoelectron-photoion coincidence studies of the A and B excited electronic states of X-C≡C-C≡CN+, X = CH3, CD3, Cl, Br, I, J. Electron Spectrosc. Relat. Phenom., 1984, 34, 253. [all data]

Notes

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