title: Carbon dioxide reduction by mononuclear ruthenium polypyridyl complexes.
abstract: New mononuclear ruthenium complexes with general formula [Ru(bid)(B)(Cl)] (bid is (1Z,3Z)-1,3-bis(pyridin-2-ylmethylene)isoindolin-2-ide; B = bidentate ligand 2,2'-bipyridine or R(2)-bpy, where R = COOEt or OMe) were synthesized and tested as precatalysts for the hydrogenative reduction of CO(2) in 2,2,2-trifluoroethanol (TFE) as solvent with added NEt(3). Significant amounts of formic acid were produced by these catalysts and a kinetic analysis based on initial rate constants was carried out. The potential mechanisms including intermediate species for these catalytic systems were investigated by means of quantum chemical calculations to gain deeper insight into the processes. The effect of electron-donating and electron-withdrawing groups on catalyst performance was studied both experimentally and theoretically.
authors.affiliation: Institute of Chemical Research of Catalonia (ICIQ), Av. Països Catalans 16, E-43007 Tarragona, Spain.
authors.forename: Nora
authors.initials: N
authors.lastname: Planas
authors.forename: Takashi
authors.initials: T
authors.lastname: Ono
authors.forename: Lydia
authors.initials: L
authors.lastname: Vaquer
authors.forename: Pere
authors.initials: P
authors.lastname: Miró
authors.forename: Jordi
authors.initials: J
authors.lastname: Benet-Buchholz
authors.forename: Laura
authors.initials: L
authors.lastname: Gagliardi
authors.forename: Christopher J
authors.initials: CJ
authors.lastname: Cramer
authors.forename: Antoni
authors.initials: A
authors.lastname: Llobet