| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7766618 | Polyhedron | 2013 | 17 Pages |
Abstract
Theoretical formulation and UB3LYP computational results have been presented for electron transfer reaction between hydroxide anion and high-valent MnO species. Possible roles of Ca(II) and hydrogen bonding to stabilize hydroxide are also discussed in relation to acid-base and radical-coupling mechanisms for water oxidation.
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
K. Yamaguchi, M. Shoji, H. Isobe, Y. Kitagawa, S. Yamada, T. Kawakami, S. Yamanaka, M. Okumura,