Oxidative properties of a nonheme Ni(ii)(O 2) complex: Reactivity patterns for C-H activation, aromatic hydroxylation and heteroatom oxidation

Abstract

Density functional theory calculations on the reactivity of a Ni(ii)-superoxo complex in C-H bond activation, aromatic hydroxylation and heteroatom oxidation reactions have been explored; the Ni(ii)-superoxo complex is able to react with substrates with weak C-H bonds and PPh 3. © 2011 The Royal Society of Chemistry.