Efficient Room-Temperature, Au+-Mediated Coupling of a Carbene Ligand with Methane to Generate C2Hx (x=4, 6)

Abstract

The thermal reactions of the closed-shell, "naked" gold-carbene complex [Au(CH2)]+ with methane have been explored by using FTICR mass spectrometry complemented by quantum chemical (QC) calculations at the CCSD(T)//BMK level of theory. Mechanistic aspects for this unprecedentedly efficient carbene insertion in the C-H bond of methane have been addressed and the origin of the counterintuitive high reactivity of [Au(CH2)]+ towards this most inert hydrocarbon is discussed.