Richard Terrett, Simon Petrie, Ron J. Pace and Robert Stranger
Chem. Commun., 2014,50, 3187-3190
DOI:
10.1039/C3CC49324E,
Communication
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.
