Catalytically Active Iron(IV)oxo Species Based on a Bis(pyridinyl)phenanthrolinylmethane

Starting from the mononuclear iron(II) complex [Fe(MeCPy2Phen)(MeCN)2]2+, a non‐heme Fe(IV)oxo complex [FeIV(MeCPy2Phen)O]2+ was synthesized via oxidation with meta‐chloroperoxybenzoic acid (mCPBA). The Fe(IV)oxo complex was characterized using UV/Vis spectroscopy, Mößbauer spectroscopy and CSI mass spectrometry. The ability of this species to oxidize C−H bonds was tested with cyclohexane and adamantane as model substrates. For cyclohexane, an alcohol‐to‐ketone ratio (A /K ) of 6.1 and efficiencies up to 55 were obtained. In case of adamantane, the ratio of tertiary over secondary products (3°/2°) is 38. In combination, this indicates the iron(IV)oxo complex being the catalytically active species.