HCCCN+

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 = 48570 ± 160 gas Baker and Turner, 1968
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
1320 ± 40 gas PE Baker and Turner, 1968

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 19600 ± 160 gas Baker and Turner, 1968
To = 19374 ± 43 Ne B-X 474 516 Fulara, Leutwyler, et al., 1985
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σ+ 1940 ± 40 gas PE Baker and Turner, 1968
4 C-C stretch 810 ± 40 gas PE Baker and Turner, 1968
4 C-C stretch 820 ± 60 Ne AB Fulara, Leutwyler, et al., 1985

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 15650 ± 160 gas Baker and Turner, 1968
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σ+ 4 C-C stretch 860 ± 40 gas PE Baker and Turner, 1968

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σ+ 1 CH stretch 3196.5 m Ne IR Smith-Gicklhorn, Lorenz, et al., 2001
2 2180 ± 40 gas PE Baker and Turner, 1968
2 2175.8 w Ne IR Smith-Gicklhorn, Lorenz, et al., 2001
3 1852.8 s Ne IR Smith-Gicklhorn, Lorenz, et al., 2001

Additional references: Jacox, 1994, page 266; Jacox, 2003, page 272

Notes

wWeak
mMedium
sStrong
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.

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]

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]

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, 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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