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

Sala, Xavier
Ertem, Mehmed Z.
Vigara, Laura
Todorova, Tanya K.
Chen, Weizhong
Rocha, Reginaldo C.
Cramer, Christopher J.
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Published in Angewandte Chemie: International Edition. 2010, vol. 49, no. 42, p. 7745-7747
Abstract The only operating mechanism in the oxidation of water to dioxygen catalyzed by the mononuclear cis-[RuII(bpy)2(H2O)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.
Keywords Density functional calculationsEnergy conversionReaction mechanismsRutheniumWater oxidation
Stable URL https://archive-ouverte.unige.ch/unige:14721
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Deposited on : 2011-03-18

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