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Author Andrejeva, Anna ♦ Tuttle, William D. ♦ Harris, Joe P. ♦ Wright, Timothy G.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ♦ ALLOCATIONS ♦ BENZENE ♦ CATIONS ♦ CHEMISTRY ♦ D STATES ♦ ELECTRONIC STRUCTURE ♦ GAIN ♦ GROUND STATES ♦ MOLECULES ♦ MULTI-PHOTON PROCESSES ♦ PHOTOIONIZATION ♦ RESONANCE ♦ S STATES ♦ SPECTRAL SHIFT ♦ SPECTROSCOPY ♦ VIBRATIONAL STATES
Abstract We report vibrationally resolved spectra of the S{sub 1}←S{sub 0} transition of bromobenzene using resonance-enhanced multiphoton ionization spectroscopy. We study bromobenzene-h{sub 5} as well as its perdeuterated isotopologue, bromobenzene-d{sub 5}. The form of the vibrational modes between the isotopologues and also between the S{sub 0} and S{sub 1} electronic states is discussed for each species, allowing assignment of the bands to be achieved and the activity between states and isotopologues to be established. Vibrational bands are assigned utilizing quantum chemical calculations, previous experimental results, and isotopic shifts. Previous work and assignments of the S{sub 1} spectra are discussed. Additionally, the vibrations in the ground state cation, D{sub 0}{sup +}, are considered, since these have also been used by previous workers in assigning the excited neutral state spectra. We also examine the vibrations of iodobenzene in the S{sub 0} and D{sub 0}{sup +} states and comment on the previous assignments of these. In summary, we have been able to assign the corresponding vibrations across the whole monohalobenzene series of molecules, in the S{sub 0}, S{sub 1}, and D{sub 0}{sup +} states, gaining insight into vibrational activity and vibrational couplings.
ISSN 00219606
Educational Use Research
Learning Resource Type Article
Publisher Date 2015-12-28
Publisher Place United States
Journal Journal of Chemical Physics
Volume Number 143
Issue Number 24


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