CH3CCCl+

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 = 36790 ± 560 gas Bieri, Heilbronner, et al., 1979

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 28334 ± 3 gas A-X 335 425 Klapstein, Kuhn, et al., 1986
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 3 CH3 deform. 1196 ± 3 gas LF Klapstein, Kuhn, et al., 1986
5 CCl stretch 479 ± 3 gas EF LF Klapstein, Kuhn, et al., 1986
e 9 Skel. bend 284 H gas LF Klapstein, Kuhn, et al., 1986
10 CCl bend 184 H gas LF Klapstein, Kuhn, et al., 1986

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 2 CC stretch 2117 ± 3 gas EF Klapstein, Kuhn, et al., 1986
3 CH3 deform. 1260 ± 3 gas EF Klapstein, Kuhn, et al., 1986
5 CCl stretch 601 ± 3 gas EF Klapstein, Kuhn, et al., 1986
e 9 Skel. bend 318 T gas EF Klapstein, Kuhn, et al., 1986
10 CCl bend 271 H gas EF Klapstein, Kuhn, et al., 1986

Additional references: Jacox, 1994, page 365; Maier, Marthaler, et al., 1980

Notes

H(1/2)(2ν)
TTentative assignment or approximate value
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]

Klapstein, Kuhn, et al., 1986
Klapstein, D.; Kuhn, R.; Maier, J.P.; Ochsner, M.; Wyttenbach, T., Spectroscopic characterization of organic cations: emission and laser-excitation spectra of rotationally cooled CH3«58872»C«58876»C«58872»X+, X «58872» Cl, Br, Chem. Phys., 1986, 101, 1, 133, https://doi.org/10.1016/0301-0104(86)87029-X . [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]

Maier, Marthaler, et al., 1980
Maier, J.P.; Marthaler, O.; Kloster-Jensen, E., Ã → X band systems of 2X+ (2Π → 2Π, and of CH3???C«58876»C???nX+ (2E → 2E) n = 1,2 with X = Cl, Br, J. Electron Spectrosc. Relat. Phenom., 1980, 18, 2, 251, https://doi.org/10.1016/0368-2048(80)80051-X . [all data]

Notes

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