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.
Fetching data from CrossRef. This may take some time to load.