title: Thermal Dehydrogenation of Methane by [ReN]<sup/>.
abstract: The thermal reaction of the diatomic rhenium nitride cation [ReN]+with methane has been explored using FT-ICR mass spectrometry complemented by high-level quantum chemical calculations. Mechanistic aspects of the reaction have been addressed to uncover scenarios for the competitive generation of a methylene and a hydrogen cyanide ligand attached to the rhenium center. The role the nitrogen atom plays in the reactive [ReN]+/CH4couple is elucidated, and the cause of the rather different reactivities of [ReN]+and its lighter congener [MnN]+is revealed.
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, P.R. 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: 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: C−N coupling; gas-phase reactions; methane activation; quantum chemical calculations; rhenium nitride