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Assignment of the vibrations of the S0, S1, and D+0 states of perhydrogenated and perdeuterated isotopologues of chlorobenzene

Andrejeva, Anna; Tuttle, William D.; Harris, Joe P.; Wright, Timothy G.

Authors

Anna Andrejeva

William D. Tuttle

Joe P. Harris

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



Abstract

We report vibrationally resolved spectra of the S1 ← S0 transition of chlorobenzene using resonance-enhanced multiphoton ionization spectroscopy. We study chlorobenzene-h5 as well as its perdeuterated isotopologue, chlorobenzene-d5. Changes in the form of the vibrational modes between the isotopologues and also between the S0 and S1 electronic states are discussed for each species. Vibrational bands are assigned utilizing quantum chemical calculations, previous experimental results, and isotopic shifts, including those between the 35Cl and 37Cl isotopologues. Previous work and assignments of the S1 spectra are discussed. Additionally, the vibrations in the ground state cation, D+0, are considered, since these have also been used by previous workers in assigning the excited neutral state spectra.

Journal Article Type Article
Journal Journal of Chemical Physics
Print ISSN 0021-9606
Electronic ISSN 1089-7960
Publisher AIP Publishing
Peer Reviewed Peer Reviewed
Volume 143
Issue 10
Article Number 104312
APA6 Citation Andrejeva, A., Tuttle, W. D., Harris, J. P., & Wright, T. G. (in press). Assignment of the vibrations of the S0, S1, and D+0 states of perhydrogenated and perdeuterated isotopologues of chlorobenzene. Journal of Chemical Physics, 143(10), https://doi.org/10.1063/1.4929996
DOI https://doi.org/10.1063/1.4929996
Publisher URL http://scitation.aip.org/content/aip/journal/jcp/143/10/10.1063/1.4929996
Copyright Statement Copyright information regarding this work can be found at the following address: http://eprints.nottingh.../end_user_agreement.pdf

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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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