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.

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.

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), Article 244315. https://doi.org/10.1063/1.4904706

• Journal Article Type: Article
• Publication Date: Dec 31, 2014
• Deposit Date: Jul 3, 2015
• Publicly Available Date: Jul 3, 2015
• Journal: Journal of Chemical Physics
• Print ISSN: 0021-9606
• Electronic ISSN: 1089-7690
• Publisher: American Institute of Physics
• Peer Reviewed: Peer Reviewed
• Volume: 141
• Issue: 24
• Article Number: 244315
• DOI: https://doi.org/10.1063/1.4904706
• Public URL: https://nottingham-repository.worktribe.com/output/740389
• Publisher URL: http://scitation.aip.org/content/aip/journal/jcp/141/24/10.1063/1.4904706
• 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