NCCCCN+

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 = 25500 ± 160 gas Bieri, Heilbronner, et al., 1979
Maier, Misev, et al., 1982

State:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 18720 ± 160 gas Bieri, Heilbronner, et al., 1979
Maier, Misev, et al., 1982

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 17430 ± 160 gas Bieri, Heilbronner, et al., 1979
Maier, Misev, et al., 1982

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 16780.31 gas A-X 528 720 Maier, Marthaler, et al., 1979
Maier, Misev, et al., 1982
Sinclair, Pfluger, et al., 1999
To = 16679 Ne A-X 530 816 Agreiter, Smith, et al., 1994
To = 16709 Ne A-X 530 816 Agreiter, Smith, et al., 1994
Forney, Freivogel, et al., 1995
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1 CN stretch 2151 ± 3 gas LF Maier, Misev, et al., 1982
1 CN stretch 2154 ± 2 Ne LF Agreiter, Smith, et al., 1994
2 CC stretch 2099 ± 3 gas LF Maier, Misev, et al., 1982
2 CC stretch 2094 ± 2 Ne LF Agreiter, Smith, et al., 1994
3 C-C stretch 696 ± 3 gas LF Maier, Misev, et al., 1982
3 C-C stretch 511 ± 2 Ne LF Agreiter, Smith, et al., 1994
Π Bend 440 H Ne AB Forney, Freivogel, et al., 1995

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1 CN stretch 2210 ± 10 gas EF Maier, Marthaler, et al., 1979
Maier, Misev, et al., 1982
1 CN stretch 2220 Ne LF Agreiter, Smith, et al., 1994
2 CC stretch 1930 ± 10 gas EF Maier, Marthaler, et al., 1979
Maier, Misev, et al., 1982
2 CC stretch 1942 Ne LF Agreiter, Smith, et al., 1994
3 C-C stretch 570 ± 10 gas EF Maier, Marthaler, et al., 1979
Maier, Misev, et al., 1982
3 C-C stretch 613 Ne LF Agreiter, Smith, et al., 1994
Σu+ 4 2015 Ne LF IR Agreiter, Smith, et al., 1994
Smith-Gicklhorn, Lorenz, et al., 2001
5 1208 T Ne LF Agreiter, Smith, et al., 1994

Additional references: Jacox, 1994, page 343; Jacox, 1998, page 319; Jacox, 2003, page 327

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

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]

Maier, Misev, et al., 1982
Maier, J.P.; Misev, L.; Thommen, F., Dicyanoacetylene cation. Laser-induced fluorescence and photoelectron-photon coincidence studies, J. Phys. Chem., 1982, 86, 514. [all data]

Maier, Marthaler, et al., 1979
Maier, J.P.; Marthaler, O.; Thommen, F., Ã2Σ+g → X2Πu emission band system of dicyanoacetylene radical cation in the gaseous phase, Chem. Phys. Lett., 1979, 60, 2, 193, https://doi.org/10.1016/0009-2614(79)80013-5 . [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]

Agreiter, Smith, et al., 1994
Agreiter, J.; Smith, A.M.; Hartle, M.; Bondybey, V.E., Laser-induced fluorescence of matrix-isolated C4N+2, Chem. Phys. Lett., 1994, 225, 1-3, 87, https://doi.org/10.1016/0009-2614(94)00597-4 . [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-Gicklhorn, Lorenz, et al., 2001
Smith-Gicklhorn, A.M.; Lorenz, M.; Kolos, R.; Bondybey, V.E., Vibrational spectroscopy of matrix-isolated, mass-selected cyanoacetylene cations, J. Chem. Phys., 2001, 115, 16, 7534, https://doi.org/10.1063/1.1405019 . [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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