C4D2+

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 = 52930 ± 160 gas Baker and Turner, 1968

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 19740.683 ± 0.002 gas A-X 485 640 Callomon, 1956
Kuhn, Maier, et al., 1986
Lecoultre, Maier, et al., 1988
To = 19727 ± 2 Ne A-X 468 600 Bondybey and English, 1979
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1 CD stretch 2296 gas EM Callomon, 1956
2 CC stretch 1770 ± 40 gas PE Baker and Turner, 1968
2 CC stretch 1892 ± 2 Ne LF Bondybey and English, 1979
3 C-C stretch 800 ± 40 gas PE Baker and Turner, 1968
3 C-C stretch 782 ± 2 Ne LF Bondybey and English, 1979
Πg 7 Skel. deform. 418 Ne LF Bondybey and English, 1979

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
Σg+ 1 CD stretch 2531.1 gas EM Callomon, 1956
1 CD stretch 2534 ± 2 Ne LF Bondybey and English, 1979
2 CC stretch 2066.3 gas EM Callomon, 1956
2 CC stretch 2067 ± 2 Ne LF Bondybey and English, 1979
3 C-C stretch 939.6 gas EM Callomon, 1956
3 C-C stretch 932 ± 3 Ne LF Bondybey and English, 1979
Σu+ 4 CD stretch 2180 ± 40 gas PE Baker and Turner, 1968
Πg 7 Deformation 412.8 gas EM Callomon, 1956
7 Deformation 414 ± 2 Ne LF Bondybey and English, 1979

Notes

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]

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]

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]

Notes

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