BrCCCN+

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 = 50750 ± 500 gas Bieri, Heilbronner, et al., 1979

State:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 27400 ± 500 gas Bieri, Heilbronner, et al., 1979
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
CBr stretch 400 ± 80 gas PE Bieri, Heilbronner, et al., 1979

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 20570 ± 160 gas Bieri, Heilbronner, et al., 1979
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
C-C stretch 1020 ± 80 gas PE Bieri, Heilbronner, et al., 1979

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 18621 ± 1 gas A-X 460 540 Leutwyler, Maier, et al., 1985
Kuhn, Maier, et al., 1986
To = 18347 ± 3 Ne A-X 427 545 Leutwyler, Maier, et al., 1985
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σ+ 1 CN stretch 2219 ± 4 Ne AB Leutwyler, Maier, et al., 1985
2 CC stretch 2020 ± 2 gas LF Kuhn, Maier, et al., 1986
2 CC stretch 1976 ± 4 Ne AB Leutwyler, Maier, et al., 1985
3 C-C stretch 1140 ± 2 gas LF Kuhn, Maier, et al., 1986
3 C-C stretch 1149 ± 4 Ne AB Leutwyler, Maier, et al., 1985
4 CBr stretch 359 ± 2 gas LF Kuhn, Maier, et al., 1986
4 CBr stretch 354 ± 4 Ne AB Leutwyler, Maier, et al., 1985
Π 6 CCC deform. 259 ± 2 gas LF Kuhn, Maier, et al., 1986
7 CCBr deform. 108 ± 2 gas LF Kuhn, Maier, et al., 1986

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σ+ 1 CN stretch 2120 ± 2 gas EF Kuhn, Maier, et al., 1986
2 CC stretch 1983 ± 2 gas EF Kuhn, Maier, et al., 1986
3 C-C stretch 1095 ± 2 gas EF Kuhn, Maier, et al., 1986
4 CBr stretch 438 ± 2 gas EF Kuhn, Maier, et al., 1986
Π 6 CCC deform. 302 ± 2 gas EF Kuhn, Maier, et al., 1986
7 CCBr deform. 111 ± 2 gas EF Kuhn, Maier, et al., 1986

Additional references: Jacox, 1994, page 282; Kuhn, Maier, et al., 1984

Notes

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

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

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]

Kuhn, Maier, et al., 1986
Kuhn, R.; Maier, J.P.; Misev, L.; Wyttenbach, T., The vibrational structure of bromocyanoacetylene cation in the X2π and Ã2π electronic states studied by emission and laser exci, J. Electron Spectrosc. Relat. Phenom., 1986, 41, 2, 265, https://doi.org/10.1016/0368-2048(86)85007-1 . [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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