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.
William D. Tuttle
Joe P. Harris
TIMOTHY WRIGHT TIM.WRIGHT@NOTTINGHAM.AC.UK
Professor of Physical and Theoretical Chemistry
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|
|Peer Reviewed||Peer Reviewed|
|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|
|Copyright Statement||Copyright information regarding this work can be found at the following address: http://eprints.nottingh.../end_user_agreement.pdf|
Copyright information regarding this work can be found at the following address: http://eprints.nottingham.ac.uk/end_user_agreement.pdf
You might also like
Hybridization and covalency in the Group 2 and Group 12 metal cation/rare gas complexes