title: 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.
authors.affiliation: Institut für Chemie, Technische Universität Berlin, Strasse des 17. Juni 135, 10623 Berlin (Germany).
authors.forename: Shaodong
authors.initials: S
authors.lastname: Zhou
authors.affiliation: Institut für Chemie, Technische Universität Berlin, Strasse des 17. Juni 135, 10623 Berlin (Germany).|Institute of Theoretical Chemistry, Jilin University, Changchun, 130023 (People's Republic of China).
authors.forename: Jilai
authors.initials: J
authors.lastname: Li
authors.affiliation: Institut für Chemie, Technische Universität Berlin, Strasse des 17. Juni 135, 10623 Berlin (Germany).
authors.forename: Xiao-Nan
authors.initials: XN
authors.lastname: Wu
authors.affiliation: Institut für Chemie, Technische Universität Berlin, Strasse des 17. Juni 135, 10623 Berlin (Germany).
authors.forename: Maria
authors.initials: M
authors.lastname: Schlangen
authors.affiliation: Institut für Chemie, Technische Universität Berlin, Strasse des 17. Juni 135, 10623 Berlin (Germany). Helmut.Schwarz@tu-berlin.de.
authors.forename: Helmut
authors.initials: H
authors.lastname: Schwarz
keywords: gas-phase reactions; gold carbenes; methane activation; quantum chemical calculations