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Molecular symmetry group analysis of the low-wavenumber torsions and vibration-torsions in the S1 state and ground state cation of p-xylene: an investigation using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy

Gardner, Adrian M.; Tuttle, William D.; Groner, Peter; Wright, Timothy G.

Molecular symmetry group analysis of the low-wavenumber torsions and vibration-torsions in the S1 state and ground state cation of p-xylene: an investigation using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy Thumbnail


Authors

Adrian M. Gardner

William D. Tuttle

Peter Groner

Timothy G. Wright



Abstract

For the first time, a molecular symmetry group (MSG) analysis has been undertaken in the investigation of the electronic spectroscopy of p-xylene (p-dimethylbenzene). Torsional and vibration-torsional (vibtor) levels in the S1 state and ground state of the cation of p-xylene (p-dimethylbenzene) are investigated using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy. In the present work, we concentrate on the 0–350 cm 1 region, where there are a number of torsional and vibtor bands and we discuss the assignment of this region. In an accompanying paper [Tuttle et al. J. Chem. Phys. XXX, xxxxxx (2016)], we examine the 350–600 cm 1 region where vibtor levels are observed as part of a Fermi resonance. The similarity of much of the observed spectral activity to that in the related substituted benzenes, toluene and para-fluorotoluene, is striking, despite the different symmetries. The discussion necessitates a consideration of the MSG of p-xylene, which has been designated G72, but we shall also designate [3,3]D2h and we include the symmetry operations, character table and direct product table for this. We also discuss the symmetries of the internal rotor (torsional) levels and the selection rules for the particular electronic transition of p-xylene investigated here.

Citation

Gardner, A. M., Tuttle, W. D., Groner, P., & Wright, T. G. (in press). Molecular symmetry group analysis of the low-wavenumber torsions and vibration-torsions in the S1 state and ground state cation of p-xylene: an investigation using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy. Journal of Chemical Physics, 146(12), https://doi.org/10.1063/1.4977896

Journal Article Type Article
Acceptance Date Feb 20, 2017
Online Publication Date Mar 23, 2017
Deposit Date Feb 21, 2017
Publicly Available Date Mar 29, 2024
Journal Journal of Chemical Physics
Print ISSN 0021-9606
Electronic ISSN 1089-7690
Publisher American Institute of Physics
Peer Reviewed Peer Reviewed
Volume 146
Issue 12
DOI https://doi.org/10.1063/1.4977896
Public URL https://nottingham-repository.worktribe.com/output/851671
Publisher URL http://aip.scitation.org/doi/10.1063/1.4977896
Additional Information The following article appeared in The Journal of Chemical Physics 146, 124308 (2017); doi: http://dx.doi.org/10.1063/1.4977896 and may be found at http://aip.scitation.org/doi/10.1063/1.4977896

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