Skip to main content

Research Repository

Advanced Search

Torsion and vibration-torsion levels of the S1 and ground cation electronic states of para-fluorotoluene

Gardner, Adrian M.; Tuttle, William D.; Whalley, Laura; Clayton, Andrew; Carter, Joseph H.; Wright, Timothy G.

Authors

Adrian M. Gardner adrian.gardner@nottingham.ac.uk

William D. Tuttle

Laura Whalley

Andrew Clayton

Joseph H. Carter

TIMOTHY WRIGHT TIM.WRIGHT@NOTTINGHAM.AC.UK
Professor of Physical and Theoretical Chemistry



Abstract

We investigate the low-energy transitions (0–570 cm-1) of the S1 state of para-fluorotoluene (pFT) using a combination of resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy and quantum chemical calculations. By using various S1 states as intermediate levels, we obtain zero-kinetic-energy (ZEKE) spectra. The differing activity observed allows detailed assignments to be made of both the cation and S1 low-energy levels. The assignments are in line with the recently-published work on toluene from the Lawrance group [J. Chem. Phys. 143, 044313 (2015)], which considered vibration-torsion coupling in depth for the S1 state of toluene. In addition, we investigate whether two bands that occur in the range 390–420 cm-1 are the result of a Fermi resonance; we present evidence for weak coupling between various vibrations and torsions that contribute to this region. This work has led to the identification of a number of misassignments in the literature, and these are corrected.

Citation

Gardner, A. M., Tuttle, W. D., Whalley, L., Clayton, A., Carter, J. H., & Wright, T. G. (in press). Torsion and vibration-torsion levels of the S1 and ground cation electronic states of para-fluorotoluene. Journal of Chemical Physics, 145(124307), https://doi.org/10.1063/1.4962822

Journal Article Type Article
Acceptance Date Sep 2, 2016
Online Publication Date Sep 26, 2016
Deposit Date Sep 5, 2016
Publicly Available Date Sep 26, 2016
Journal Journal of Chemical Physics
Print ISSN 0021-9606
Electronic ISSN 1089-7690
Publisher AIP Publishing
Peer Reviewed Peer Reviewed
Volume 145
Issue 124307
DOI https://doi.org/10.1063/1.4962822
Public URL http://eprints.nottingham.ac.uk/id/eprint/36237
Publisher URL http://scitation.aip.org/content/aip/journal/jcp/145/12/10.1063/1.4962822
Copyright Statement Copyright information regarding this work can be found at the following address: http://eprints.nottingham.ac.uk/end_user_agreement.pdf

Files


Internal rotor states pFT v16 sub-revised-a.pdf (1.7 Mb)
PDF

Copyright Statement
Copyright information regarding this work can be found at the following address: http://eprints.nottingham.ac.uk/end_user_agreement.pdf





You might also like



Downloadable Citations