NC(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:   E
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 30420 ± 160 gas Kloster-Jensen, Maier, et al., 1979

State:   D
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 25580 ± 160 gas Kloster-Jensen, Maier, et al., 1979

State:   B,C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 22190 ± 160 gas Kloster-Jensen, Maier, et al., 1979

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 15245.74 gas A-X 630 770 Kloster-Jensen, Maier, et al., 1979
Linnartz, Pfluger, et al., 2002
To = 15130 Ne A-X 565 1510 Forney, Freivogel, et al., 1995
Agreiter, Smith, et al., 1995
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1 CC sym. stretch 2475 ± 5 T Ne AB Forney, Freivogel, et al., 1995
2 CN sym. stretch 1940 ± 80 gas PE Kloster-Jensen, Maier, et al., 1979
2 CN sym. stretch 2029 Ne AB LF Forney, Freivogel, et al., 1995
Agreiter, Smith, et al., 1995
3 C-C sym. str. 1726 ± 5 Ne AB Forney, Freivogel, et al., 1995
4 C-C sym. str. 449 Ne AB LF Forney, Freivogel, et al., 1995
Agreiter, Smith, et al., 1995

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1 CN stretch 2180 ± 10 gas EF Kloster-Jensen, Maier, et al., 1979
1 CN stretch 2185 Ne LF Agreiter, Smith, et al., 1995
2 CC stretch 2100 ± 10 gas EF Kloster-Jensen, Maier, et al., 1979
2 CC stretch 2094 Ne LF Agreiter, Smith, et al., 1995
3 C-C stretch 1360 ± 10 gas EF Kloster-Jensen, Maier, et al., 1979
3 C-C stretch 1354 Ne LF Agreiter, Smith, et al., 1995
4 C-C stretch 460 ± 10 gas EF Kloster-Jensen, Maier, et al., 1979
4 C-C stretch 458 Ne LF Agreiter, Smith, et al., 1995

Additional references: Jacox, 1994, page 414; Jacox, 1998, page 341; Jacox, 2003, page 362

Notes

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.

Kloster-Jensen, Maier, et al., 1979
Kloster-Jensen, E.; Maier, J.P.; Marthaler, O.; Mohraz, M., The ?2Πu→?2Πg emission and the photoelectron spectrum of dicyanodiacetylene radical cation, J. Chem. Phys., 1979, 71, 7, 3125, https://doi.org/10.1063/1.438720 . [all data]

Linnartz, Pfluger, et al., 2002
Linnartz, H.; Pfluger, D.; Vaizert, O.; Cias, P.; Birza, P.; Khoroshev, D.; Maier, J.P., Rotationally resolved A[sup 2]Π[sub u]←X [sup 2]Π[sub g] electronic transition of NC[sub 6]N[sup +], J. Chem. Phys., 2002, 116, 3, 924, https://doi.org/10.1063/1.1427710 . [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]

Agreiter, Smith, et al., 1995
Agreiter, J.; Smith, A.M.; Bondybey, V.E., Laser-induced fluorescence of matrix-isolated C6N2+ and of C8N2+, Chem. Phys. Lett., 1995, 241, 4, 317, https://doi.org/10.1016/0009-2614(95)00642-H . [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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