Theoretical studies of the mechanism of catalytic hydrogen production by a cobaloxime

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Our theoretical studies of the standard reduction potentials of the molecular complex [CoII(dmgBF2)2]0 (dmgBF2 = difluoro-boryldimethylglyoximate) in acetonitrile solution shed light on its electrocatalytic mechanism for hydrogen production. Three such mechanisms have been proposed, all proceeding through the formation of Co IIIH. Our results indicate that the mechanism involving a Co IIH intermediate is the most likely.

Original languageEnglish
Pages (from-to)12456-12458
Number of pages3
JournalChemical Communications
Issue number46
Publication statusPublished - Dec 14 2011


ASJC Scopus subject areas

  • Catalysis
  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Chemistry(all)
  • Surfaces, Coatings and Films
  • Metals and Alloys
  • Materials Chemistry

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