title: Distinct mechanistic differences in the hydrogen-atom transfer from methane and water by the heteronuclear oxide cluster [Ga2 MgO4](.).
abstract: The thermal reactions of the heteronuclear oxide cluster [Ga2 MgO4 ](.+) with methane and water have been studied using state-of-the-art gas-phase experiments in conjunction with quantum-chemical calculations. The significant reactivity differences, favoring activation of the strong OH bond, can be ascribed to a proton-coupled electron transfer (PCET) mechanism operative in the activation of water. This study deepens our mechanistic understanding on how inert RH bonds are cleaved by metal oxides.
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: 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: Shiya
authors.initials: S
authors.lastname: Tang
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: bond activation; computational chemistry; gas-phase reactions; mass spectrometry; radicals