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Vibrations of the S1 state of fluorobenzene-h5 and fluorobenzene-d5 via resonance-enhanced multiphoton ionization (REMPI) spectroscopy

Harris, Joe P.; Andrejeva, Anna; Tuttle, William D.; Pugliesi, Igor; Schriever, Christian; Wright, Timothy G.

Authors

Joe P. Harris

Anna Andrejeva

William D. Tuttle

Igor Pugliesi

Christian Schriever

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



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.

Journal Article Type Article
Publication Date Dec 31, 2014
Journal Journal of Chemical Physics
Print ISSN 0021-9606
Electronic ISSN 0021-9606
Publisher AIP Publishing
Peer Reviewed Peer Reviewed
Volume 141
Issue 24
Article Number 244315
APA6 Citation Harris, J. P., Andrejeva, A., Tuttle, W. D., Pugliesi, I., Schriever, C., & Wright, T. 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), doi:10.1063/1.4904706
DOI https://doi.org/10.1063/1.4904706
Publisher URL http://scitation.aip.org/content/aip/journal/jcp/141/24/10.1063/1.4904706
Copyright Statement Copyright information regarding this work can be found at the following address: http://eprints.nottingh.../end_user_agreement.pdf
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.or...41/24/10.1063/1.4904706

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





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