A study of excited state molecular vibrations of aromatic hydrocarbons |
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Authors: | Koichi Ohno |
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Affiliation: | Department of Chemistry, College of General Education, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153, Japan |
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Abstract: | Vibrational frequencies in excited and ionized states are calculated for primary aromatic hydrocarbons, on the basis of MO calculations of transition energies and normal coordinate calculations for ground state molecules. Results are in good agreement with experiment. Specific activities of certain types of modes, which exhibit large frequency shifts on excitation, are discussed in terms of vibronic coupling. |
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