Mechanistic insight into the hydroxylation of alkanes by a nonheme iron(v)–oxo complex

Abstract

Hydroxylation of alkanes by a mononuclear nonheme iron(V)–oxo complex, [Fe(V)(O)(TAML)]⁻, is initiated by a rate-determining hydrogen atom (H-atom) abstraction, followed by an oxygen non-rebound process. Evidence for the H-atom abstraction–oxygen non-rebound mechanism is obtained experimentally and supported by DFT calculations.