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

James Muckerman, Etsuko Fujita

Research output: Contribution to journal › Article

152 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

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Hydrogen production
Acetonitrile
acetonitrile
cobaloxime

ASJC Scopus subject areas

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

Cite this

Theoretical studies of the mechanism of catalytic hydrogen production by a cobaloxime. / Muckerman, James; Fujita, Etsuko.

In: Chemical Communications, Vol. 47, No. 46, 14.12.2011, p. 12456-12458.

Research output: Contribution to journal › Article

Muckerman, J & Fujita, E 2011, 'Theoretical studies of the mechanism of catalytic hydrogen production by a cobaloxime', Chemical Communications, vol. 47, no. 46, pp. 12456-12458. https://doi.org/10.1039/c1cc15330g
Muckerman J, Fujita E. Theoretical studies of the mechanism of catalytic hydrogen production by a cobaloxime. Chemical Communications. 2011 Dec 14;47(46):12456-12458. https://doi.org/10.1039/c1cc15330g
Muckerman, James ; Fujita, Etsuko. / Theoretical studies of the mechanism of catalytic hydrogen production by a cobaloxime. In: Chemical Communications. 2011 ; Vol. 47, No. 46. pp. 12456-12458.
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