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Issue 46, 2011
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Theoretical studies of the mechanism of catalytic hydrogen production by a cobaloxime

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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 CoIIIH. Our results indicate that the mechanism involving a CoIIH intermediate is the most likely.

Graphical abstract: Theoretical studies of the mechanism of catalytic hydrogen production by a cobaloxime

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Article information


Submitted
26 Aug 2011
Accepted
05 Oct 2011
First published
28 Oct 2011

Chem. Commun., 2011,47, 12456-12458
Article type
Communication

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

J. T. Muckerman and E. Fujita, Chem. Commun., 2011, 47, 12456 DOI: 10.1039/C1CC15330G

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