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Abstract
A Theoretical Contribution to the Radiative and Non-Radiative S1 Deactivation of the Isomeric Terphenyls by Including their Stable Conformations On the basis of completely optimized S0 and S1 molecular geometries of isomeric terphenyls the radiative and non-radiative S1 deactivations were investigated theoretically within the Condon and Herzberg-Teller approach, respectively. The theoretical vibronic S1 S0 ‘line’ spectra are compared with the experimental fluorescence data. The influence of stable conformations on the vibronic spectral behaviour is discussed. For the internal S1 S0 conversion the rate constants were calculated by including the promoting and accepting modes, and the electronic factor as well. In all cases the photophysically relevant vibrational modes are analyzed.
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