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À propos de : Pathways for Photoinduced Charge Separation and Recombination at Donor−AcceptorHeterojunctions: The Case of Oligophenylenevinylene−Perylene Bisimide Complexes        

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  • Pathways for Photoinduced Charge Separation and Recombination at Donor−AcceptorHeterojunctions: The Case of Oligophenylenevinylene−Perylene Bisimide Complexes
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  • Semiempirical Hartree−Fock techniques have been applied to assess the molecular parameters governing theefficiency of photoinduced charge generation and recombination processes in donor/acceptor complexesinvolving a three-ring oligophenylenevinylene as donor and perylene bisimide as acceptor. The correspondingrates have been estimated in the framework of the Marcus−Levich−Jortner formalism for different geometriesof the complexes. The results indicate that dissociation pathways involving the lowest two charge transferexcited states contribute significantly to the dynamics of the whole process. The rates are found to be stronglysensitive to the relative position of the donor and acceptor units and can be rationalized in terms of symmetryarguments applied to relevant electronic levels.
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