The cis-[RuII(bpy)2(H2O)2] 2+ water-oxidation catalyst revisited

Xavier Sala, Mehmed Z. Ertem, Laura Vigara, Tanya K. Todorova, Weizhong Chen, Reginaldo C. Rocha, Francesco Aquilante, Christopher J. Cramer, Laura Gagliardi, Antoni Llobet

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93 Citations (Scopus)

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. © 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Original languageEnglish
Pages (from-to)7745-7747
JournalAngewandte Chemie - International Edition
Volume49
Issue number42
DOIs
Publication statusPublished - 11 Oct 2010

Keywords

  • Density functional calculations
  • Energy conversion
  • Reaction mechanisms
  • Ruthenium
  • Water oxidation

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