C4H2+

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 = 51960 ± 160 gas Baker and Turner, 1968

State:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 29753 ± 18 Ne C-X 321 337 Fulara, Grutter, et al., 2007
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Πg 6 Bend 681 ± 15 H Ne AB Fulara, Grutter, et al., 2007
Πu 9 Bend 230 ± 15 H Ne AB Fulara, Grutter, et al., 2007

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 19722.610 ± 0.002 gas A-X 485 650 Callomon, 1956
Kuhn, Maier, et al., 1986
Lecoultre, Maier, et al., 1988
Dzhonson, Jochnowitz, et al., 2007
Raghunandan, Mazzotti, et al., 2011
To = 19708 ± 2 Ne A-X 443 604 Bondybey and English, 1979
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1 CH stretch 2858 gas EM Callomon, 1956
1 CH stretch 2821 ± 2 Ne LF Bondybey and English, 1979
2 CC stretch 1860 ± 40 gas PE Baker and Turner, 1968
2 CC stretch 2002 ± 2 Ne LF Bondybey and English, 1979
3 C-C stretch 811.8 gas EF CR Baker and Turner, 1968
Allan, Kloster-Jensen, et al., 1976
Raghunandan, Mazzotti, et al., 2011
3 C-C stretch 807 ± 2 Ne LF Bondybey and English, 1979
Πg 7 Skel. deform.(w) 403.2 gas CR Raghunandan, Mazzotti, et al., 2011
7 Skel. deform. 430 Ne LF Bondybey and English, 1979

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1 CH stretch 3136.9 gas EM Callomon, 1956
1 CH stretch 3143 ± 2 Ne LF Bondybey and English, 1979
2 CC stretch 2176.6 gas EM Callomon, 1956
2 CC stretch 2177 ± 2 Ne LF Bondybey and English, 1979
3 C-C stretch (w) 956.2 gas CR Raghunandan, Mazzotti, et al., 2011
3 C-C stretch 971.5 gas EM LF Callomon, 1956
Celii, Maier, et al., 1986
3 C-C stretch 973 ± 3 Ne LF Bondybey and English, 1979
Σu+ 4 CH stretch 2820 ± 40 gas PE Baker and Turner, 1968
Πg 7 Skel. deform.(w) 435.4 gas CR Raghunandan, Mazzotti, et al., 2011
7 Skel. deform. 432.2 gas EM LF Callomon, 1956
Celii, Maier, et al., 1986
7 Skel. deform. 430.3 gas EM LF Callomon, 1956
Celii, Maier, et al., 1986
7 Skel. deform. 432.5 Ne LF Bondybey and English, 1979

Additional references: Jacox, 1994, page 325; Maier and Thommen, 1980; Maier, Ochsner, et al., 1983; Ramos, Winter, et al., 2002

Notes

H(1/2)(2ν)
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.

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, Grutter, et al., 2007
Fulara, J.; Grutter, M.; Maier, J.P., Higher Excited Electronic Transitions of Polyacetylene Cations HC, J. Phys. Chem. A, 2007, 111, 46, 11831, https://doi.org/10.1021/jp075807t . [all data]

Callomon, 1956
Callomon, J.H., AN EMISSION SPECTRUM OF THE DIACETYLENE ION: A STUDY OF SCHÜLER'S "T" SPECTRUM UNDER HIGH RESOLUTION, Can. J. Phys., 1956, 34, 10, 1046, https://doi.org/10.1139/p56-116 . [all data]

Kuhn, Maier, et al., 1986
Kuhn, R.; Maier, J.P.; Ochsner, M., Absolute rotational assignment of the origin band of the, Mol. Phys., 1986, 59, 3, 441, https://doi.org/10.1080/00268978600102181 . [all data]

Lecoultre, Maier, et al., 1988
Lecoultre, J.; Maier, J.P.; Rosslein, M., Geometric structure of diacetylene cation in the X 2Πg and A 2Πu electronic states, J. Chem. Phys., 1988, 89, 10, 6081, https://doi.org/10.1063/1.455423 . [all data]

Dzhonson, Jochnowitz, et al., 2007
Dzhonson, A.; Jochnowitz, E.B.; Maier, J.P., Electronic Gas-Phase Spectra of Larger Polyacetylene Cations, J. Phys. Chem. A, 2007, 111, 10, 1887, https://doi.org/10.1021/jp067439j . [all data]

Raghunandan, Mazzotti, et al., 2011
Raghunandan, R.; Mazzotti, F.J.; Esmail, A.M.; Maier, J.P., Renner-Teller and Fermi Resonance Interactions for the v, J. Phys. Chem. A, 2011, 115, 34, 9365, https://doi.org/10.1021/jp110564q . [all data]

Bondybey and English, 1979
Bondybey, V.E.; English, J.H., Electronic spectrum of the diacetylene radical cation in solid rare gases, J. Chem. Phys., 1979, 71, 2, 777, https://doi.org/10.1063/1.438366 . [all data]

Allan, Kloster-Jensen, et al., 1976
Allan, M.; Kloster-Jensen, E.; Maier, J.P., Emission spectra of the radical cations of diacetylene (Ã2Πu→X2Πg), triacetylene (Ã2Πg→X2Πu), and tetraacetylene (Ã2Πu→X2Πg,O00), and the lifetimes of some vibronic levels of the à states, Chem. Phys., 1976, 17, 1, 11, https://doi.org/10.1016/0301-0104(76)85002-1 . [all data]

Celii, Maier, et al., 1986
Celii, F.G.; Maier, J.P.; Ochsner, M., The X-state spectroscopy of molecular ions: Stimulated emission pumping spectra of the diacetylene cation, J. Chem. Phys., 1986, 85, 10, 6230, https://doi.org/10.1063/1.451491 . [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]

Maier and Thommen, 1980
Maier, J.P.; Thommen, F., Radiative and nonradiative decay rates of state selected H-(C≡C)-2H+, D-(C≡C)-2D+, A2Πu, determined by a photoelectron-photoion coincidence technique, J. Chem. Phys., 1980, 73, 5616. [all data]

Maier, Ochsner, et al., 1983
Maier, J.P.; Ochsner, M.; Thommen, F., Intramolecular decay of some open-shell polyatomic cations, Faraday Discuss. Chem. Soc., 1983, 75, 77, https://doi.org/10.1039/dc9837500077 . [all data]

Ramos, Winter, et al., 2002
Ramos, C.; Winter, P.R.; Zwier, T.S.; Pratt, S.T., Photoelectron spectroscopy via the 1 [sup 1]Δ[sub u] state of diacetylene, J. Chem. Phys., 2002, 116, 10, 4011, https://doi.org/10.1063/1.1448488 . [all data]

Notes

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