NC(CC)3CN+

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:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 13480 Ne A-X 638 1090 Forney, Freivogel, et al., 1995
Agreiter, Smith, et al., 1995
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 2 CC sym. stretch 2163 ± 5 Ne AB Forney, Freivogel, et al., 1995
3 CC sym. stretch 1952 ± 5 Ne AB Forney, Freivogel, et al., 1995
4 C-C s-stretch 1105 ± 5 Ne AB Forney, Freivogel, et al., 1995
5 C-C s-stretch 395 ± 5 Ne AB Forney, Freivogel, et al., 1995
Π Bend 423 ± 5 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 s-stretch 2136.8 ± 0.5 Ne LF Agreiter, Smith, et al., 1995
2 CC s-stretch 2127.9 ± 0.5 Ne LF Agreiter, Smith, et al., 1995
3 CC s-stretch 1974.4 ± 0.5 Ne LF Agreiter, Smith, et al., 1995
5 C-C s-stretch 362 T Ne LF Agreiter, Smith, et al., 1995

Additional references: Jacox, 1998, page 362

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.

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, 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]

Notes

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