C8H2+

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:   E
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 41254 ± 34 Ne E-X 231 243 Fulara, Grutter, et al., 2007
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 3 2036 ± 50 Ne AB Fulara, Grutter, et al., 2007

State:   D
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 31300 ± 200 gas Allan, Heilbronner, et al., 1976
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
400 T gas PE Allan, Heilbronner, et al., 1976

State:   C'
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 24600 ± 200 gas Allan, Heilbronner, et al., 1976
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1960 ± 80 gas PE Allan, Heilbronner, et al., 1976
1380 ± 80 gas PE Allan, Heilbronner, et al., 1976

State:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 20220 ± 3 gas Rice, Rudnev, et al., 2010
To = 20194 ± 8 Ne C-X 406 496 Fulara, Grutter, et al., 2007
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 3 2048 ± 12 Ne AB Fulara, Grutter, et al., 2007

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 17661 ± 1 gas Rice, Rudnev, et al., 2010
To = 17590 ± 6 Ne B-X 500 569 Fulara, Grutter, et al., 2007
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 3 1926 ± 10 Ne AB Fulara, Grutter, et al., 2007
4 1218 ± 10 Ne AB Fulara, Grutter, et al., 2007
5 464 ± 10 Ne AB Fulara, Grutter, et al., 2007

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 14143.18 gas A-X Allan, Heilbronner, et al., 1976
Allan, Kloster-Jensen, et al., 1976
Pfluger, Motylewski, et al., 2000
Dzhonson, Jochnowitz, et al., 2007
To = 13975 Ne A-X 625 845 Smith, Agreiter, et al., 1994
Freivogel, Fulara, et al., 1994
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 3 CC stretch 1950 ± 80 gas PE Allan, Heilbronner, et al., 1976
3 CC stretch 2029.5 Ne LF AB Smith, Agreiter, et al., 1994
Freivogel, Fulara, et al., 1994
5 C-C stretch 463 Ne LF AB Smith, Agreiter, et al., 1994
Freivogel, Fulara, et al., 1994

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 2 CC stretch 2100 ± 80 gas PE Allan, Heilbronner, et al., 1976
2 CC stretch 2141.0 Ne LF Smith, Agreiter, et al., 1994
3 CC stretch 2040.5 Ne LF Smith, Agreiter, et al., 1994
5 C-C stretch 472.2 Ne LF Smith, Agreiter, et al., 1994
Π 17 Deform. 88.5 H T Ne LF Smith, Agreiter, et al., 1994

Additional references: Jacox, 1998, page 351; Jacox, 2003, page 374

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.

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, Heilbronner, et al., 1976
Allan, M.; Heilbronner, E.; Kloster-Jensen, E.; Maier, J.P., The {PI}-states of tetraacetylene radical cation, Chem. Phys. Lett., 1976, 41, 228. [all data]

Rice, Rudnev, et al., 2010
Rice, C.A.; Rudnev, V.; Dietsche, R.; Maier, J.P., GAS-PHASE ELECTRONIC SPECTRA OF POLYACETYLENE CATIONS: RELEVANCE OF HIGHER EXCITED STATES, Astronom. J., 2010, 140, 1, 203, https://doi.org/10.1088/0004-6256/140/1/203 . [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]

Pfluger, Motylewski, et al., 2000
Pfluger, D.; Motylewski, T.; Linnartz, H.; Sinclair, W.E.; Maier, J.P., Rotationally resolved electronic spectrum of tetraacetylene cation, Chem. Phys. Lett., 2000, 329, 1-2, 29, https://doi.org/10.1016/S0009-2614(00)00976-3 . [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, 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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