title: Pathways for photoinduced charge separation and recombination at donor-acceptor heterojunctions: the case of oligophenylenevinylene-perylene bisimide complexes.
abstract: Semiempirical Hartree-Fock techniques have been applied to assess the molecular parameters governing the efficiency of photoinduced charge generation and recombination processes in donor/acceptor complexes involving a three-ring oligophenylenevinylene as donor and perylene bisimide as acceptor. The corresponding rates have been estimated in the framework of the Marcus-Levich-Jortner formalism for different geometries of the complexes. The results indicate that dissociation pathways involving the lowest two charge transfer excited states contribute significantly to the dynamics of the whole process. The rates are found to be strongly sensitive to the relative position of the donor and acceptor units and can be rationalized in terms of symmetry arguments applied to relevant electronic levels.
authors.affiliation: Laboratory for Chemistry of Novel Materials, University of Mons-Hainaut, Place du Parc 20, B-7000 Mons, Belgium.
authors.forename: A
authors.initials: A
authors.lastname: Burquel
authors.forename: V
authors.initials: V
authors.lastname: Lemaur
authors.forename: D
authors.initials: D
authors.lastname: Beljonne
authors.forename: R
authors.initials: R
authors.lastname: Lazzaroni
authors.forename: J
authors.initials: J
authors.lastname: Cornil