Vacuum ultraviolet resonance Raman studies of the valence excited electronic states of benzene and benzene-D6: The E1U state and a putative A2U state

Roseanne J. Sension, Richard J. Brudzynski, Bruce Hudson

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Abstract

A resonance Raman study of benzene has been performed with the use of excitation wavelengths ranging from 184 to 160 nm. Excitation resonant with the 1 1E1U (ππ*) state results'in Raman spectra dominated by progressions in the totally symmetric ring breathing vibration (v10) both alone and in combination with the overtone of the e 1g CH bending vibration (V10) and the overtone of the b2g ring deformation vibration (v4). Much weaker progressions are observed involving v1 and fundamental and overtone transitions of the Jahn-Teller active e2g vibrations. The observation of intensity in e2g fundamental vibrations indicates that the E 1u electronic state is, at least slightly, Jahn-Teller active. More significant however, is the observation of considerable intensity in many of the out-of-plane vibrations indicating that benzene is distorted from planarity in the 1 1E1u electronic state. In addition, the observation of the v10 fundamental transition and the 2v10, 2v 4, and 2v8 overtone transitions in the Raman spectra obtained using 171 to 160 nm excitation is indicative of the presence of one or more valence states of A2u symmetry in the high energy tail of the strong ππ* transition.

Original languageEnglish (US)
Pages (from-to)873-882
Number of pages10
JournalThe Journal of Chemical Physics
Volume94
Issue number2
DOIs
StatePublished - Jan 1 1991

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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