NCCN+

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 = 33409 ± 5 gas Rice, Rudnev, et al., 2010
To = 33522 ± 5 Ne D-X 266 300 Riaplov, Wyss, et al., 2003
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1 CN s-stretch 2188 ± 5 gas MPD Rice, Rudnev, et al., 2010
1 CN s-stretch 2285 ± 25 Ne AB Riaplov, Wyss, et al., 2003
2 C-C stretch 870 ± 5 gas MPD Rice, Rudnev, et al., 2010
2 C-C stretch 845 ± 25 Ne AB Riaplov, Wyss, et al., 2003
Πg 4 Bend 607 H gas MPD Rice, Rudnev, et al., 2010
Πu 5 Bend 164 H gas MPD Rice, Rudnev, et al., 2010

State:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 17363 ± 3 gas Baker and Turner, 1968
Hochlaf, Baer, et al., 2005
Rice, Rudnev, et al., 2010
To = 17056 ± 6 Ne Fulara, Leutwyler, et al., 1985
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1 CN stretch 2105 ± 3 gas PE MPD Hochlaf, Baer, et al., 2005
Rice, Rudnev, et al., 2010
1 CN stretch 2020 ± 10 Ne AB Fulara, Leutwyler, et al., 1985
2 C-C stretch 811 ± 3 gas MPD Rice, Rudnev, et al., 2010
2 C-C stretch 844 ± 10 T Ne AB Fulara, Leutwyler, et al., 1985
Πg 4 Bend 351 H gas MPD Rice, Rudnev, et al., 2010
4 Bend 370 T Ne AB Fulara, Leutwyler, et al., 1985
Πu 5 Bend 175 H gas MPD Rice, Rudnev, et al., 2010

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 11253 gas Baker and Turner, 1968
Hochlaf, Baer, et al., 2005
Rudnev, Rice, et al., 2008
To = 11486 ± 3 Ne B-X 794 871 Fulara, Leutwyler, et al., 1985
Riaplov, Wyss, et al., 2003
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1 CN s-stretch 2287 gas MPD Rudnev, Rice, et al., 2008
2 C-C stretch 1066 gas MPD Rudnev, Rice, et al., 2008
Πg 4 Bend 390 H gas MPD Rudnev, Rice, et al., 2008
Πu 5 Bend 273 H gas MPD Rudnev, Rice, et al., 2008

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 9340 ± 12 gas Baker and Turner, 1968
Hochlaf, Baer, et al., 2005
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1 CN stretch 1860 ± 40 gas PE Baker and Turner, 1968

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1 CN stretch 2262 ± 10 gas PE Baker and Turner, 1968
Hochlaf, Baer, et al., 2005
2 CC stretch 956 ± 10 gas PE Hochlaf, Baer, et al., 2005
Σu+ 3 CN a-stretch 1818 ± 20 gas PE Hochlaf, Baer, et al., 2005
3 CN a-stretch 1799.5 Ne IR Riaplov, Wyss, et al., 2003
Jacox and Thompson, 2007

Additional references: Jacox, 1994, page 183

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.

Rice, Rudnev, et al., 2010
Rice, C.A.; Rudnev, V.; Chakrabarty, S.; Maier, J.P., D, J. Phys. Chem. A, 2010, 114, 4, 1684, https://doi.org/10.1021/jp906722k . [all data]

Riaplov, Wyss, et al., 2003
Riaplov, E.; Wyss, M.; Maier, J.P.; Hochlaf, M.; Rosmus, P., Electronic and infrared absorption spectra of NCCN+, Int. J. Mass Spectrom., 2003, 223/224, 107, https://doi.org/10.1016/S1387-3806(02)00784-4 . [all data]

Baker and Turner, 1968
Baker, C.; Turner, D.W., High resolution molecular photoelectron spectroscopy. III.Acetylenes and azaacetylenes, Proc. Roy. Soc. (London), 1968, A308, 19. [all data]

Hochlaf, Baer, et al., 2005
Hochlaf, M.; Baer, T.; Qian, X.-M.; Ng, C.Y., A vacuum ultraviolet pulsed field ionization-photoelectron study of cyanogen cation in the energy range of 13.2--15.9 eV, J. Chem. Phys., 2005, 123, 14, 144302, https://doi.org/10.1063/1.2037607 . [all data]

Fulara, Leutwyler, et al., 1985
Fulara, J.; Leutwyler, S.; Maier, J.P.; Spittel, U., Electronic absorption spectra of cyanogen cation (N.tplbond.CC.tplbond.N+), cyanoacetylene cation (HC.tplbond.CC.tplbond.N+), and methylcyanoacetylene cation (MeC.tplbond.CC.tplbond.N+) in neon matrixes, J. Phys. Chem., 1985, 89, 15, 3190, https://doi.org/10.1021/j100261a004 . [all data]

Rudnev, Rice, et al., 2008
Rudnev, V.; Rice, C.A.; Maier, J.P., B [sup 2]Σ[sub u][sup +]←X [sup 2]Π[sub g] electronic spectrum of NCCN[sup +] in the gas phase, J. Chem. Phys., 2008, 129, 13, 134315, https://doi.org/10.1063/1.2989982 . [all data]

Jacox and Thompson, 2007
Jacox, M.E.; Thompson, W.E., Infrared spectroscopy and photochemistry of NCCN[sup +] and CNCN[sup +] trapped in solid neon, J. Chem. Phys., 2007, 126, 5, 054308, https://doi.org/10.1063/1.2433945 . [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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