H(CC)2CN+

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 = 27350 ± 160 gas Bieri, Kloster-Jensen, et al., 1980

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 21860 ± 160 gas Bieri, Kloster-Jensen, et al., 1980

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 17178.04 gas A-X 580 670 Bieri, Kloster-Jensen, et al., 1980
Sinclair, Pfluger, et al., 1999
To = 17098 ± 20 Ne A-X 494 820 Forney, Freivogel, et al., 1995
Smith, Agreiter, et al., 1995
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σ+ CC stretch 1870 ± 160 gas EF Bieri, Kloster-Jensen, et al., 1980
3 CC stretch 2006 ± 5 Ne AB Forney, Freivogel, et al., 1995
4 CN stretch 1849 ± 5 Ne AB Forney, Freivogel, et al., 1995
5 C-C stretch 1187 ± 5 Ne AB Forney, Freivogel, et al., 1995
6 C-C stretch 600 ± 160 gas EF Bieri, Kloster-Jensen, et al., 1980
6 C-C stretch 584 ± 5 Ne AB Forney, Freivogel, et al., 1995

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σ+ 1 CH stretch 3403.4 Ne LF Smith, Agreiter, et al., 1995
2 CN stretch 2190 ± 10 gas EF Bieri, Kloster-Jensen, et al., 1980
2 CN stretch 2194.6 Ne LF Smith, Agreiter, et al., 1995
3 CC stretch 2070 ± 10 gas EF Bieri, Kloster-Jensen, et al., 1980
3 CC stretch 2070.2 Ne LF Smith, Agreiter, et al., 1995
4 CC stretch 1912.7 Ne LF Smith, Agreiter, et al., 1995
5 C-C stretch 1220 ± 10 gas EF Bieri, Kloster-Jensen, et al., 1980
5 C-C stretch 1213 Ne LF Smith, Agreiter, et al., 1995
6 C-C stretch 630 ± 10 gas EF Bieri, Kloster-Jensen, et al., 1980
6 C-C stretch 625 Ne LF Smith, Agreiter, et al., 1995

Additional references: Jacox, 1994, page 369; Jacox, 1998, page 328; Jacox, 2003, page 342

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, Kloster-Jensen, et al., 1980
Bieri, G.; Kloster-Jensen, E.; Kvisle, S.; Maier, J.P.; Marthaler, O., J. Chem. Soc., 1980, Faraday Trans. 2 76, 676. [all data]

Sinclair, Pfluger, et al., 1999
Sinclair, W.E.; Pfluger, D.; Maier, J.P., Rotationally resolved A [sup 2]Π←X [sup 2]Π electronic spectra of cyanodiacetylene and dicyanoacetylene cations, J. Chem. Phys., 1999, 111, 21, 9600, https://doi.org/10.1063/1.480293 . [all data]

Forney, Freivogel, et al., 1995
Forney, D.; Freivogel, P.; Fulara, J.; Maier, J.P., Electronic absorption spectra of cyano-substituted polyacetylene cations in neon matrices, J. Chem. Phys., 1995, 102, 4, 1510, https://doi.org/10.1063/1.468883 . [all data]

Smith, Agreiter, et al., 1995
Smith, A.M.; Agreiter, J.; Bondybey, V.E., Laser-induced fluorescence of matrix-isolated H«58872»C«58876»C«58872»C«58876»C«58872»C«58876»N+ and H«58872»C«58876»C«58872»C«58876»C«58872»C«58876»C«58872»C«58876»N+, Chem. Phys. Lett., 1995, 244, 5-6, 379, https://doi.org/10.1016/0009-2614(95)00915-Q . [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]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Notes

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