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

Research output: Contribution to journalArticlepeer-review

101 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)7745-7747
Number of pages3
JournalAngewandte Chemie - International Edition
Issue number42
StatePublished - Oct 11 2010


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


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