title: Catalytic silylation of dinitrogen with a dicobalt complex.
abstract: A dicobalt complex catalyzes N2 silylation with Me3SiCl and KC8 under 1 atm N2 at ambient temperature. Tris(trimethylsilyl)amine is formed with an initial turnover rate of 1 N(TMS)3/min, ultimately reaching a turnover number of ∼200. The dicobalt species features a metal-metal interaction, which we postulate is important to its function. Although N2 functionalization occurs at a single cobalt site, the second cobalt center modifies the electronics at the active site. Density functional calculations reveal that the Co-Co interaction evolves during the catalytic cycle: weakening upon N2 binding, breaking with silylation of the metal-bound N2 and reforming with expulsion of [N2(SiMe3)3](-).
authors: Randall B
authors: RB
authors: Siedschlag
authors: Varinia
authors: V
authors: Bernales
authors: Konstantinos D
authors: KD
authors: Vogiatzis
authors: Nora
authors: N
authors: Planas
authors: Laura J
authors: LJ
authors: Clouston
authors: §Max Planck Institut für Chemische Energiekonversion, Stiftstraße 34-36, 45470 Mülheim an der Ruhr, Germany.
authors: Eckhard
authors: E
authors: Bill
authors: Laura
authors: L
authors: Gagliardi
authors: Connie C
authors: CC
authors: Lu