C6H5CH3+

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:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 25420 ± 160 gas Debies and Rabalais, 1972

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tod = 17590 ± 160 gas Debies and Rabalais, 1972
Txd = 23300 Ar Andrews, Miller, et al., 1980
Andrews and Keelan, 1980
Txd = 23000 Kr Andrews, Miller, et al., 1980

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 4200 ± 160 gas Debies and Rabalais, 1972

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a' 1694 ± 40 gas PE Debies and Rabalais, 1972
986 gas TPE Takahashi, Okuyama, et al., 1991
In-plane deform 976 gas TPE Meek, Long, et al., 1982
Takahashi, Okuyama, et al., 1991
564 ± 40 gas PE Debies and Rabalais, 1972
In-plane deform 498 gas TPE Meek, Long, et al., 1982
Takahashi, Okuyama, et al., 1991
430 T gas PE Meek, Long, et al., 1982

Additional references: Jacox, 1994, page 394; Dunbar and Fu, 1973; Dymerski, Fu, et al., 1974

Notes

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.
dPhotodissociation threshold

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.

Debies and Rabalais, 1972
Debies, T.P.; Rabalais, J.W., Photoelectron spectra of substituted benzenes, J. Electron Spectrosc. Relat. Phenom., 1972, 1, 4, 355, https://doi.org/10.1016/0368-2048(72)80037-9 . [all data]

Andrews, Miller, et al., 1980
Andrews, L.; Miller, J.H.; Keelan, B.W., Absorption spectra and photochemistry of the toluene cation and benzyl radical in solid argon, Chem. Phys. Lett., 1980, 71, 2, 207, https://doi.org/10.1016/0009-2614(80)80148-5 . [all data]

Andrews and Keelan, 1980
Andrews, L.; Keelan, B.W., Absorption spectra and photochemical rearrangement of cycloheptatriene cation to toluene cation in solid argon, J. Am. Chem. Soc., 1980, 102, 18, 5732, https://doi.org/10.1021/ja00538a006 . [all data]

Takahashi, Okuyama, et al., 1991
Takahashi, M.; Okuyama, K.; Kimura, K., Two-color threshold photoelectron spectroscopy: cation vibrational spectroscopy, J. Mol. Struct., 1991, 249, 1, 47, https://doi.org/10.1016/0022-2860(91)85053-6 . [all data]

Meek, Long, et al., 1982
Meek, J.T.; Long, S.R.; Reilly, J.P., Observation of polyatomic ion vibrational state distribution by laser photoelectron spectroscopy, J. Phys. Chem., 1982, 86, 15, 2809, https://doi.org/10.1021/j100212a002 . [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]

Dunbar and Fu, 1973
Dunbar, R.C.; Fu, E.W., Photodissociation spectroscopy of gaseous toluene (C7H8+) cations, J. Am. Chem. Soc., 1973, 95, 8, 2716, https://doi.org/10.1021/ja00789a069 . [all data]

Dymerski, Fu, et al., 1974
Dymerski, P.P.; Fu, E.; Dunbar, R.C., Ion cyclotron resonance photodissociation spectroscopy spectra of substituted benzenes, J. Am. Chem. Soc., 1974, 96, 13, 4109, https://doi.org/10.1021/ja00820a008 . [all data]

Notes

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