Activation mechanism of hydrogen peroxide by a divanadium-substituted polyoxometalate [γ-PV2W10O38(μ-OH)2]3-: A computational study

Reaction mechanism of H2O2 and [γ-PV2W10O38(μ-OH)2]3-, and electronic structure of catalytic active species peroxo complex [γ-PV2W10O38(μ-η2,η2-O2)]3- have been studied by using the density functional theory method with B3LYP functional.373