Published in
Wiley, Angewandte Chemie, 42(122), p. 7911-7913, 2010
Wiley, Angewandte Chemie International Edition, 42(49), p. 7745-7747, 2010
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The cis-[RuII(bpy)2(H2O)2]2+ Water-Oxidation Catalyst Revisited
Journal article published in 2010 by
Xavier Sala,
Mehmed Z. Ertem,
Laura Vigara,
Tanya K. Todorova,
Weizhong Chen,
Reginaldo C. Rocha,
Francesco Aquilante,
Christopher J. Cramer 
,
Laura Gagliardi,
Antoni Llobet
,
Laura Gagliardi,
Antoni Llobet
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Abstract
The only operating mechanism in the oxidation of water to dioxygen catalyzed by the mononuclear cis-[RuII(bpy)2(H 2O)2]2+ complex when treated with excess CeIV was unambiguously established. Theoretical calculations together with 18O-labeling experiments (see plot) revealed that it is the nucleophilic attack of water on a Ru-O group.