Abstract
A density functional study of the Sr-substituted photosystem II water oxidising complex demonstrates that its recent X-ray crystal structure is consistent with a (MnIII)4 oxidation state pattern, and with a Sr-bound hydroxide ion. The Sr-water-hydroxide interactions rationalize differences in the exchange rates of substrate water and kinetics of dioxygen bond formation relative to the Ca-containing structure.
| Original language | English |
|---|---|
| Pages (from-to) | 3187-3190 |
| Number of pages | 4 |
| Journal | Chemical Communications |
| Volume | 50 |
| Issue number | 24 |
| DOIs | |
| Publication status | Published - 25 Feb 2014 |
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