Vibration and vibration-torsion levels of the S1 and ground cationic D0+ states of para-fluorotoluene and para-xylene below 1000 cm−1

Tuttle, William Duncan

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https://hdl.handle.net/2142/97178 Copy

Description

Title

Vibration and vibration-torsion levels of the S1 and ground cationic D0+ states of para-fluorotoluene and para-xylene below 1000 cm−1

Author(s)

Tuttle, William Duncan

Contributor(s)

• Wright, Timothy G.
• Whalley, Laura E.
• Gardner, Adrian M.

Issue Date

2017-06-23

Keyword(s)

Vibrational structure/frequencies

Abstract

We have employed resonance-enhanced multiphoton ionisation (REMPI) spectroscopy and zero-kinetic-energy (ZEKE) spectroscopy to investigate the first excited electronic singlet (textit{S}$_{1}$) state and the cationic ground state (textit{D}$_{0}$$^{+}$) of textit{para}-fluorotoluene (textit{p}FT) and textit{para}-xylene (textit{p}Xyl). Spectra have been recorded textit{via} a large number of selected intermediate levels, to support assignment of the vibration and vibration-torsion levels in these molecules and to investigate possible couplings._x000d_ _x000d_ The study of levels in this region builds upon previous work on the lower energy regions of textit{p}FT and textit{p}Xylfootnote{A. M. Gardner, W. D. Tuttle, L. Whalley, A. Claydon, J. H. Carter and T. G. Wright, textit{J. Chem. Phys.}, textbf{145}, 124307 (2016).}$^{,}$footnote{A. M. Gardner, W. D. Tuttle, P. Groner and T. G. Wright, textit{J. Chem. Phys.}, (2017, in press).}$^{,}$footnote{W. D. Tuttle, A. M. Gardner, K. O’Regan, W. Malewicz and T. G. Wright, textit{J. Chem. Phys.}, (2017, in press).} and here we are interested in how vibration-torsion (vibtor) levels might combine and interact with vibrational ones, and so we consider the possible couplings which occur. Comparisons between the spectra of the two molecules show a close correspondence, and the influence of the second methyl rotor in textit{para}-xylene on the onset of intramolecular vibrational redistribution (IVR) in the textit{S}$_{1}$ state is a point of interest. This has bearing on future work which will need to consider the role of both more flexible side chains of substituted benzene molecules, and multiple side chains._x000d_ _x000d_

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/97178

DOI

https://doi.org/10.15278/isms.2017.FC06

Copyright and License Information

Copyright 2017 William Duncan Tuttle

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