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The cis-[RuII(bpy)2(H2O)2]2+ Water-Oxidation Catalyst Revisited

Sala, X.; Ertem, M. Z.; Vigara, L.; Todorova, T. K.; Chen, W.; Rocha, R. C.; Cramer, C. J.; Gagliardi, L.; Llobet, A.
Angew. Chem. Int. Ed. 2010, 49, 7745 (doi:10.1002/anie.201002398).

The mononuclear cis-[RuII(bpy)2(H2O)2]2+ complex catalytically oxidizes water to dioxygen when treated with excess Ce(IV). Theoretical calculations together with 18O-labeling experiments unambiguously establish that water nucleophilic attack on a Ru=O group is the only operating mechanism.