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C6H2+


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   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 27350 ± 160 gas Brogli, Heilbronner, et al., 1973


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

650 ± 80 gas PE Brogli, Heilbronner, et al., 1973

State:   C


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 23969 ± 12 Ne C-X 381 418 Fulara, Grutter, et al., 2007


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Sigmag+ 2 2278 ± 18 Ne AB Fulara, Grutter, et al., 2007
4 662 ± 18 Ne AB Fulara, Grutter, et al., 2007

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 16654.69 gas A-X 485 725 Allan, Kloster-Jensen, et al., 1976
Klapstein, Kuhn, et al., 1984
Sinclair, Pfluger, et al., 1999
Pfluger, Sinclair, et al., 1999
Dzhonson, Jochnowitz, et al., 2007
To = 16570 Ne A-X 524 843 Smith, Agreiter, et al., 1994
Freivogel, Fulara, et al., 1994


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Sigmag+ 1 CH stretch 3243 ± 2 T gas LF Klapstein, Kuhn, et al., 1984
2 CC stretch 2053 ± 2 gas LF Klapstein, Kuhn, et al., 1984
2 CC stretch 2065.7 Ne LF AB Smith, Agreiter, et al., 1994
Freivogel, Fulara, et al., 1994
3 CC stretch 1880 ± 2 gas LF Klapstein, Kuhn, et al., 1984
3 CC stretch 1890.2 Ne LF AB Smith, Agreiter, et al., 1994
Freivogel, Fulara, et al., 1994
4 C-C stretch 617.8 gas LF AB Allan, Kloster-Jensen, et al., 1976
Klapstein, Kuhn, et al., 1984
Pfluger, Sinclair, et al., 1999
4 C-C stretch 630 Ne LF AB Smith, Agreiter, et al., 1994
Freivogel, Fulara, et al., 1994
Pig 10 Skel. bend 244 T gas LF Klapstein, Kuhn, et al., 1984
10 Skel. bend 248 H Ne LF Smith, Agreiter, et al., 1994

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Sigmag+ 2 CC stretch 2182 ± 2 gas EF Allan, Kloster-Jensen, et al., 1976
Klapstein, Kuhn, et al., 1984
2 CC stretch 2181.4 Ne LF Smith, Agreiter, et al., 1994
3 CC stretch 1903 ± 2 gas EF Allan, Kloster-Jensen, et al., 1976
Klapstein, Kuhn, et al., 1984
3 CC stretch 1903.4 Ne LF Smith, Agreiter, et al., 1994
4 C-C stretch 632 ± 2 gas EF Allan, Kloster-Jensen, et al., 1976
Klapstein, Kuhn, et al., 1984
4 C-C stretch 635 H Ne LF Smith, Agreiter, et al., 1994
Sigmau+ 6 CC stretch 2014 T Ne LF Smith, Agreiter, et al., 1994
Pig 10 Skel. bend 228 ± 2 T gas LF Klapstein, Kuhn, et al., 1984
10 Skel. bend 230 T Ne LF Smith, Agreiter, et al., 1994

Additional references: Jacox, 1994, page 380; Jacox, 1998, page 339; Jacox, 2003, page 358

Notes

H(1/2)(2nu)
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.

Brogli, Heilbronner, et al., 1973
Brogli, F.; Heilbronner, E.; Hornung, V.; Kloster-Jensen, E., 230. Die photoelektronen-spektren methyl-substituierter Acetylene, Helv. Chim. Acta, 1973, 56, 2171. [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]

Allan, Kloster-Jensen, et al., 1976
Allan, M.; Kloster-Jensen, E.; Maier, J.P., Emission spectra of the radical cations of diacetylene (Ã2«PI»u-->X2«PI»g), triacetylene (Ã2«PI»g-->X2«PI»u), and tetraacetylene (Ã2«PI»u-->X2«PI»g,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]

Klapstein, Kuhn, et al., 1984
Klapstein, D.; Kuhn, R.; Maier, J.P.; Ochsner, M.; Zambach, W., Emission and laser excitation spectra of the ~A2.PI.u .tautm. ~X2.PI.g transition of rotationally cooled triacetylene cation, J. Phys. Chem., 1984, 88, 22, 5176, https://doi.org/10.1021/j150666a012 . [all data]

Sinclair, Pfluger, et al., 1999
Sinclair, W.E.; Pfluger, D.; Linnartz, H.; Maier, J.P., Rotationally resolved A [sup 2]«PI»[sub g]<--X [sup 2]«PI»[sub u] electronic spectrum of triacetylene cation by frequency modulation absorption spectroscopy, J. Chem. Phys., 1999, 110, 1, 296, https://doi.org/10.1063/1.478065 . [all data]

Pfluger, Sinclair, et al., 1999
Pfluger, D.; Sinclair, W.E.; Linnartz, H.; Maier, J.P., Rotationally resolved electronic absorption spectra of triacetylene cation in a supersonic jet, Chem. Phys. Lett., 1999, 313, 1-2, 171, https://doi.org/10.1016/S0009-2614(99)00984-7 . [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]

Smith, Agreiter, et al., 1994
Smith, A.M.; Agreiter, J.; Hartle, M.; Engel, C.; Bondybey, V.E., Rare gas matrix studies of absorption and fluorescence of reactive intermediates formed in discharges through acetylene, Chem. Phys., 1994, 189, 2, 315, https://doi.org/10.1016/0301-0104(94)00299-1 . [all data]

Freivogel, Fulara, et al., 1994
Freivogel, P.; Fulara, J.; Lessen, D.; Forney, D.; Maier, J.P., Absorption spectra of conjugated hydrocarbon cation chains in neon matrices, Chem. Phys., 1994, 189, 2, 335, https://doi.org/10.1016/0301-0104(94)00243-6 . [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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