title: An electron dynamics mechanism of charge separation in the initial-stage dynamics of photoinduced water splitting in X-Mn-water (X=OH, OCaH) and electron-proton acceptors.
abstract: An electron dynamics mechanism of charge separation in the initial stage of excited-state reactions of the class of XMnOH2 ⋅⋅⋅A${ \to }$XMnOH⋅⋅⋅HA (X=OH or OCaH; A=N-methylformamidine, guanidine, imidazole, or ammonia cluster) is reported. The dynamic effect of calcium doping is also revealed. This study provides a novel factor to be considered in designing efficient systems for photoinduced water splitting.
authors.affiliation: Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Komaba, 153-8902, Tokyo (Japan).
authors.forename: Kentaro
authors.initials: K
authors.lastname: Yamamoto
authors.affiliation: Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Komaba, 153-8902, Tokyo (Japan). kaztak@mns2.c.u-tokyo.ac.jp.
authors.forename: Kazuo
authors.initials: K
authors.lastname: Takatsuka
keywords: electron transfer; hydrogen transfer; nonadiabatic transitions; photochemistry; water splitting