Photoinduced Charge Separation Catalyzed by Manganese Oxides onto a Y-Shaped Branching Acceptor Efficiently Preventing Charge Recombination

We perform a full-dimensional nonadiabatic electron wavepacket study of Mn-oxide catalytic charge separation to be created on an accepting molecular system, which is of Y-shaped branching structure and has a track-branching function of proton and electron. This branching is necessary in cases where the transferred electrons and protons are to be eventually carried to mutually different destinations without quick annihilation of thus created pair (charge separation). However, as a result of the larger size of such a branching shaped acceptor, the distance between the Mn-oxide and the acceptor is so long that it can be far from obvious whether an electron is successfully delivered through conical intersections. We here show that this can really take place.