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Harris, Joe P., Andrejeva, Anna, Tuttle, William D., Pugliesi, Igor, Schriever, Christian and Wright, Timothy G. (2014) Vibrations of the S1 state of fluorobenzene-h5 and fluorobenzene-d5 via resonance-enhanced multiphoton ionization (REMPI) spectroscopy. Journal of Chemical Physics, 141 (24). 244315/1-244315/15. ISSN 0021-9606

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Abstract

We report resonance-enhanced multiphoton ionization spectra of the isotopologues fluorobenzeneh5 and fluorobenzene-d5. By making use of quantum chemical calculations, the changes in the wavenumber of the vibrational modes upon deuteration are examined. Additionally, the mixing of vibrational modes both between isotopologues and also between the two electronic states is discussed. The isotopic shifts lead to dramatic changes in the appearance of the spectrum as vibrations shift in and out of Fermi resonance. Assignments of the majority of the fluorobenzene-d5 observed bands are provided, aided by previous results on fluorobenzene-h5.

Item Type:	Article
RIS ID:	https://nottingham-repository.worktribe.com/output/740389
Additional Information:	Copyright 2014 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The journal of chemical physics, v. 141 244315 (2014) and may be found at http://scitation.aip.org/content/aip/journal/jcp/141/24/10.1063/1.4904706
Schools/Departments:	University of Nottingham, UK > Faculty of Science > School of Chemistry
Identification Number:	10.1063/1.4904706
Depositing User:	WRIGHT, Professor T G
Date Deposited:	03 Jul 2015 12:20
Last Modified:	04 May 2020 16:58
URI:	https://eprints.nottingham.ac.uk/id/eprint/28799

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