Vibronisches Spektralverhalten von Molekülen. VI. Theoretische Untersuchungen zur Molekülgeometrie und Spektroskopie des Perylens
作者： K. Gustav , C. Seydenschwanz
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摘要: Vibronic Spectral Behaviour of Molecules. VI. Theoretical Investigations on the Molecular Geometry and Spectroscopy Perylene The theoretical completely-optimized molecular geometries perylene are presented for electronic states S0, S1 T1. On this basis, vibronic spectral behaviour in absorption fluorescence has been calculated within framework CONDON approximation. The results obtained compared with experimental S0-S1 interpreted. geometry changes determine significant active modes responsible fine structure corresponding spectroscopic transitions.
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