Summary
Completely-optimized S0 and S1 molecular geometries of anthanthrene and the theoretical vibronic line spectrum of the S1 → S0 fluorescence are presented. The experimental spectroscopic peaks are satisfactorily reproduced by the calculated vibronic transitions within the Condon approach. An analysis of the active vibrational modes being responsible for the spectrum structure is given. The photophysical S1 state deactivation of anthanthrene is discussed with respect to the fluorescence and internal conversion quantum yields.
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Gustav, K., Storch, M. Vibronisches Spektralverhalten von Molekülen, 16. Mitt.: Theoretische Molekülgeometrien und Spektrumstruktur der Fluoreszenz des Anthanthrens. Monatsh Chem 121, 141–145 (1990). https://doi.org/10.1007/BF00809526
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DOI: https://doi.org/10.1007/BF00809526