1,4-C6H4Cl2+

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 = 31060 ± 800 gas Maier and Marthaler, 1978
To = 31017 Ar E-X 283 323 Friedman, Kelsall, et al., 1984
Szczepanski, Personette, et al., 1992
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 4 1085 Ar AB Friedman, Kelsall, et al., 1984
Szczepanski, Personette, et al., 1992
5 729 Ar AB Friedman, Kelsall, et al., 1984
Szczepanski, Personette, et al., 1992

State:   C,D
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 20500 ± 160 gas Maier and Marthaler, 1978
To = 20383 Ar C,D-X 449 491 Friedman, Kelsall, et al., 1984
Szczepanski, Personette, et al., 1992
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 2 1547 Ar AB Szczepanski, Personette, et al., 1992
6 338 Ar AB Friedman, Kelsall, et al., 1984
Szczepanski, Personette, et al., 1992

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 19622 gas B-X 483 590 Maier and Marthaler, 1978
Dzhonson, Gerlich, et al., 2006
To = 19452 Ne Bondybey and Miller, 1983
To = 19130 T Ar B-X 498 612 Friedman, Kelsall, et al., 1984
Szczepanski, Personette, et al., 1992
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
ag 1000 T gas PE Maier and Marthaler, 1978
737 gas PE PF Maier and Marthaler, 1978
Dzhonson, Gerlich, et al., 2006
6 320 gas PE PF Maier and Marthaler, 1978
Dzhonson, Gerlich, et al., 2006
6 331 Ar AB Friedman, Kelsall, et al., 1984
Szczepanski, Personette, et al., 1992
au 8 Ring twist 406 H gas PF Dzhonson, Gerlich, et al., 2006
b2g 16 Ring twist 581 T gas PF Dzhonson, Gerlich, et al., 2006
17 CCl OPLA 276 H gas PF Dzhonson, Gerlich, et al., 2006
b2u 22 CCl bend 212 H gas PF Dzhonson, Gerlich, et al., 2006
b3g 27 CCl bend 324 H gas PF Dzhonson, Gerlich, et al., 2006
b3u 29 Ring twist 240 H gas PF Dzhonson, Gerlich, et al., 2006
30 CCl OPLA 88 H gas PF Dzhonson, Gerlich, et al., 2006

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 7420 ± 160 gas Maier and Marthaler, 1978
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1080 ± 80 gas PE Maier and Marthaler, 1978
520 ± 80 gas PE Maier and Marthaler, 1978

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 2 1590 ± 10 gas EF Maier and Marthaler, 1978
2 1598 Ar Ra LF Szczepanski, Personette, et al., 1992
3 1189 Ar Ra Szczepanski, Personette, et al., 1992
4 1113 Ar Ra LF Szczepanski, Personette, et al., 1992
6 330 ± 10 gas EF Maier and Marthaler, 1978
6 330 Ar Ra LF Szczepanski, Personette, et al., 1992
b1u 11 1429 Ar IR Szczepanski, Personette, et al., 1992
13 1110 Ar IR Szczepanski, Personette, et al., 1992
b2u 21 986 Ar IR Szczepanski, Personette, et al., 1992
b3u 28 843 Ar IR Szczepanski, Personette, et al., 1992

Additional references: Jacox, 1994, page 431

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

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Maier and Marthaler, 1978
Maier, J.P.; Marthaler, O., Emission spectra of the radical cations of 1,3-dichlorobenzene, 1,4-dichlorobenzene and 1,3,5-trichlorobenzene in the gas phase, Chem. Phys., 1978, 32, 419. [all data]

Friedman, Kelsall, et al., 1984
Friedman, R.S.; Kelsall, B.J.; Andrews, L., Vibronic absorption spectra of dichloro- and dibromobenzene cations in solid argon at 20 K, J. Phys. Chem., 1984, 88, 10, 1944, https://doi.org/10.1021/j150654a006 . [all data]

Szczepanski, Personette, et al., 1992
Szczepanski, J.; Personette, W.; Pellow, R.; Chandrasekhar, T.M.; Roser, D.; Cory, M.; Zerner, M.; Vala, M., Vibrational and electronic spectra of matrix-isolated para-dichlorobenzene radical cations, J. Chem. Phys., 1992, 96, 1, 35, https://doi.org/10.1063/1.462471 . [all data]

Dzhonson, Gerlich, et al., 2006
Dzhonson, A.; Gerlich, D.; Bieske, E.J.; Maier, J.P., Apparatus for the study of electronic spectra of collisionally cooled cations: para-dichlorobenzene, J. Mol. Struct., 2006, 795, 1-3, 93, https://doi.org/10.1016/j.molstruc.2005.11.044 . [all data]

Bondybey and Miller, 1983
Bondybey, V.E.; Miller, T.A., Molecular Ions: Spectroscopy, Structure, and Chemistry, pp. 125-173, North-Holland, Amsterdam, 1983. [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]

Notes

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