Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5379558 | Chemical Physics Letters | 2015 | 19 Pages |
Abstract
- Catalytic reactions of oxygen-evolving complex during the S2 â S3 transition are investigated.
- Two reaction pathways, R- and L-reactions are elucidated.
- Both reactions start by moving the Ca-bound water (W3) to the vacant Mn(III) coordination.
- The L-reaction is more energetically favored than the R-reaction.
- Proton transfer occurs through O5, W2(OH) and the active site water molecules (W5-W7).
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Mitsuo Shoji, Hiroshi Isobe, Kizashi Yamaguchi,