Vibronic interpretation of the low-energy absorption spectrum of the sexithiophene single crystal

作者: Piotr Petelenz , Marcin Andrzejak

DOI: 10.1063/1.1290026

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摘要: The classic model of vibronic coupling in dimers and tetramers is used for calculating the fine structure lowest-energy electronic transition sexithiophene crystal. Good semiquantitative agreement with experiment achieved, lending credence to applied model. observed intensity pattern interpreted terms deviations from adiabatic approximation closely spaced states. intramolecular Herzberg–Teller corrections are lesser importance, but probable cause minor discrepancies simulated spectra. results suggest a modified interpretation experimental fluorescence

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