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Advances in Quantum Chemistry by Per-Olov Lowdin, Vincenzo Barone, Alessandro Lami, Erkki J. Brandas, Michael C. Zerner, John R. Sabin

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On the Photophysics of Molecules with Charge-Transfer Excitations between aromatic rings

Alessandro Ferretti; Alessandro Lami; Giovanni Villani    Istituto di Chimica Quantistica ed Energetica Molecolare del CNR, via Risorgimento 35, 1-56126 Pisa (Italy)

Abstract

We develop a naive but quite general model for interpreting the photophysical behavior of aromatic systems for which the ground state and the first excited state can be well described in terms of a limited number of configurations involving charge-transfer excitations between aromatic rings. Assuming that the charge transfer is controlled uniquely by an hopping term proportional to the cosine of the torsion angle (φ) between the two rings, one may build up and solve a complete vibronic ...

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