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

Research output: Contribution to journalArticle

171 Citations (Scopus)

Abstract

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
Volume47
Issue number46
DOIs
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

Fingerprint Dive into the research topics of 'Theoretical studies of the mechanism of catalytic hydrogen production by a cobaloxime'. Together they form a unique fingerprint.

  • Cite this