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Vibronisches Spektralverhalten von Molekülen, 19. Mitt. S1→S0-Fluoreszenz des Phenanthrens im Rahmen der Herzberg-Teller-Näherung erster Ordnung

Vibronic spectral behaviour of molecules, XIX [1]: S1→S0-Fluorescence of phenanthrene within the framework of first order Herzberg-Teller approach (short commun.)

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  • Anorganische Und Physikalische Chemie
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Summary

On the basis of the completely-optimized S0 and S1 molecular geometries of phenanthrene the vibrational structure of the S1 → S0 transition was calculated within the first order Herzberg-Teller approach including also the Dushinsky transformation of normal mode vectors. The influence of the vibronic coupling and of the Dushinsky effect on the spectral behaviour is discussed with respect to intensity redistributions. The experimental fluorescence is sufficiently reproduced by the theoretical vibronic S1 → S0 “line” spectrum as the Dushinsky effect is taken into account. An analysis of the relevant vibrational modes is given.

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Authors and Affiliations

  1. Institut für Physikalische Chemie, Friedrich-Schiller-Universität Jena, D-O-6900, Jena, Bundesrepublik Deutschland

    Klaus Gustav & Michael Storch

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  1. Klaus Gustav
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  2. Michael Storch
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Gustav, K., Storch, M. Vibronisches Spektralverhalten von Molekülen, 19. Mitt. S1→S0-Fluoreszenz des Phenanthrens im Rahmen der Herzberg-Teller-Näherung erster Ordnung. Monatsh Chem 122, 483–486 (1991). https://doi.org/10.1007/BF00809800

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  • DOI: https://doi.org/10.1007/BF00809800

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