CH3(CC)2Cl+

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
Tx = 37200 ± 320 gas Heilbronner, Hornung, et al., 1974

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 19820 gas A-X 445 650 Maier, Marthaler, et al., 1980
Klapstein, Kuhn, et al., 1984
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 2 CC s-stretch 2123 ± 2 gas LF Klapstein, Kuhn, et al., 1984
4 CH3 s-deform. 1296 ± 2 gas LF Klapstein, Kuhn, et al., 1984
5 C-C a-stretch 1207 ± 2 gas LF Klapstein, Kuhn, et al., 1984
6 C-C s-stretch 888 ± 2 gas LF Klapstein, Kuhn, et al., 1984
7 CCl stretch 424 ± 2 gas EF LF Maier, Marthaler, et al., 1980
Klapstein, Kuhn, et al., 1984
e 12 Skel. s-bend 319 T gas LF Klapstein, Kuhn, et al., 1984
13 CCCl bend 235 ± 2 gas LF Klapstein, Kuhn, et al., 1984
14 Skel. bend 87 T gas LF Klapstein, Kuhn, et al., 1984

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 2 CC s-stretch 2232 ± 2 gas EF Maier, Marthaler, et al., 1980
Klapstein, Kuhn, et al., 1984
4 CH3 deform. 1334 ± 2 gas EF Klapstein, Kuhn, et al., 1984
5 C-C a-stretch 1320 ± 2 gas EF Maier, Marthaler, et al., 1980
Klapstein, Kuhn, et al., 1984
7 C-Cl stretch 503 ± 2 gas EF Klapstein, Kuhn, et al., 1984
e 13 CCCl bend 228 ± 2 gas EF Klapstein, Kuhn, et al., 1984
14 Skel. bend 92 ± 2 T gas EF Klapstein, Kuhn, et al., 1984

Additional references: Jacox, 1994, page 406

Notes

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

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.

Heilbronner, Hornung, et al., 1974
Heilbronner, E.; Hornung, V.; Maier, J.P.; Kloster-Jensen, E., The photoelectron spectra of halodiacetylenes, dihalodiacetylenes, and halomethyldiacetylenes, J. Am. Chem. Soc., 1974, 96, 4252. [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]

Klapstein, Kuhn, et al., 1984
Klapstein, D.; Kuhn, R.; Maier, J.P.; Misev, L.; Ochsner, M., 138. Spectroscopic characterization of open-shell cations: Emission and laser excitation spectra of rotationally cooled CH3(-C=C-)2X+, X = Cl, Br, Helv. Chim. Acta, 1984, 67, 1222. [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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