title: Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.
abstract: The mechanistic course of the amination of alcohols with ammonia catalyzed by a structurally modified congener of Milstein's well-defined acridine-based PNP-pincer Ru complex has been investigated both experimentally and by DFT calculations. Several key Ru intermediates have been isolated and characterized. The detailed analysis of a series of possible catalytic pathways (e.g., with and without metal-ligand cooperation, inner- and outer-sphere mechanisms) leads us to conclude that the most favorable pathway for this catalyst does not require metal-ligand cooperation.
authors.affiliation: Catalysis Research Laboratory (CaRLa) , Im Neuenheimer Feld 584, D-69120 Heidelberg, Germany.
authors.forename: Xuan
authors.initials: X
authors.lastname: Ye
authors.forename: Philipp N
authors.initials: PN
authors.lastname: Plessow
authors.forename: Marion K
authors.initials: MK
authors.lastname: Brinks
authors.forename: Mathias
authors.initials: M
authors.lastname: Schelwies
authors.forename: Thomas
authors.initials: T
authors.lastname: Schaub
authors.forename: Frank
authors.initials: F
authors.lastname: Rominger
authors.forename: Rocco
authors.initials: R
authors.lastname: Paciello
authors.forename: Michael
authors.initials: M
authors.lastname: Limbach
authors.forename: Peter
authors.initials: P
authors.lastname: Hofmann