title: Photoinduced Charge Separation Catalyzed by Manganese Oxides onto a Y-Shaped Branching Acceptor Efficiently Preventing Charge Recombination.
abstract: A full-dimensional nonadiabatic electron wavepacket study is performed on Mn oxide catalytic charge separation to be created on an accepting molecular system, which is of Y-shaped structure and has a track-branching function for protons and electrons. This branching is necessary in cases in which the transferred electrons and protons are to be eventually carried to mutually different destinations without quick annihilation of the created pair (charge separation). However, as a result of the larger size of such a branched acceptor, the distance between the Mn oxide and the acceptor is so great that it is far from obvious whether an electron is successfully delivered through conical intersections. It is shown here that this can actually occur.
authors.affiliation: Fukui Institute for Fundamental Chemistry, Kyoto University, Takano-Nishihiraki-cho 34-4, Sakyou-ku, Kyoto, 606-8103, Japan.
authors.forename: Kentaro
authors.initials: K
authors.lastname: Yamamoto
authors.affiliation: Fukui Institute for Fundamental Chemistry, Kyoto University, Takano-Nishihiraki-cho 34-4, Sakyou-ku, Kyoto, 606-8103, Japan.
authors.forename: Kazuo
authors.identifier: http://orcid.org/0000-0002-5624-1810
authors.initials: K
authors.lastname: Takatsuka
keywords: branched electron-proton acceptors; coupled proton electron-wavepacket transfer; manganese oxide; photoinduced charge separation; suppressed charge recombination