title: Thermal Methane Activation by the Metal-Free Cluster Cation [Si2O4].
abstract: The thermal reaction of methane with the metal-free cluster cation [Si2O4].+has been examined by using Fourier transform-ion cyclotron resonance (FT-ICR) mass spectrometry. In addition to generating a methyl radical via hydrogen-atom abstraction, [Si2O4].+can selectively oxidize methane to formaldehyde. The mechanisms of these rather efficient reactions have been elucidated by high-level quantum-chemical calculations.
authors.affiliation: Institut für Chemie, Technische Universität Berlin, Straße des 17. Juni 135, 10623, Berlin, Germany.
authors.forename: Xiaoyan
authors.initials: X
authors.lastname: Sun
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.
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.
authors.forename: Helmut
authors.initials: H
authors.lastname: Schwarz
keywords: gas-phase reactions; methane activation; quantum-chemical calculations; silicon oxide cluster