David J. Kemp
Torsions, low-frequency vibrations, and vibration–torsion (“vibtor”) levels in the m-chlorotoluene cation
Kemp, David J.; Warner, Lewis G.; Wright, Timothy G.
Authors
Lewis G. Warner
Timothy G. Wright
Abstract
Zero-electron-kinetic-energy (ZEKE) spectra are presented for m-chlorotoluene (mClT), employing different low-lying torsional and vibration–torsional (“vibtor”) levels of the S1 state as intermediates. The adiabatic ionization energy is determined to be 71 319 cm−1 ± 5 cm−1 (8.8424 ± 0.0006 eV). It is found that the activity in the ZEKE spectra varies greatly for different levels and is consistent with the assignments of the S1 levels of m-fluorotoluene (mFT) deduced in the recent fluorescence study of Stewart et al. [J. Chem. Phys. 150, 174303 (2019)] and the ZEKE study from Kemp et al. [J. Chem. Phys. 151, 084311 (2019)]. As with mFT, the intensities in the ZEKE spectra of mClT are consistent with a phase change in the torsional potential upon ionization, allowing a large number of torsions and vibtor levels to be observed for the cation. Vibration-induced modifications of the torsional potential are discussed. Calculated vibrational wavenumbers for the S0, S1, and D0+ states are also presented.
Citation
Kemp, D. J., Warner, L. G., & Wright, T. G. (2020). Torsions, low-frequency vibrations, and vibration–torsion (“vibtor”) levels in the m-chlorotoluene cation. Journal of Chemical Physics, 152(6), Article 064303. https://doi.org/10.1063/1.5142992
Journal Article Type | Article |
---|---|
Acceptance Date | Jan 28, 2020 |
Online Publication Date | Feb 13, 2020 |
Publication Date | Feb 14, 2020 |
Deposit Date | Feb 14, 2020 |
Publicly Available Date | Feb 14, 2020 |
Journal | Journal of Chemical Physics |
Print ISSN | 0021-9606 |
Electronic ISSN | 1089-7690 |
Publisher | American Institute of Physics |
Peer Reviewed | Peer Reviewed |
Volume | 152 |
Issue | 6 |
Article Number | 064303 |
DOI | https://doi.org/10.1063/1.5142992 |
Public URL | https://nottingham-repository.worktribe.com/output/3959857 |
Publisher URL | https://aip.scitation.org/doi/10.1063/1.5142992 |
Additional Information | This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Torsions, low-frequency vibrations, and vibration–torsion (“vibtor”) levels in the m-chlorotoluene cation David J. Kemp, Lewis G. Warner, and Timothy G. Wright. The Journal of Chemical Physics 152:6 and may be found at https://aip.scitation.org/doi/10.1063/1.5142992 |
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