title: Ruthenium agostic (phosphinoaryl)borane complexes: multinuclear solid-state and solution NMR, X-ray, and DFT studies.
abstract: The reactivity of the (o-phosphinophenyl)(amino)borane compound HB(N(i)Pr(2))C(6)H(4)(o-PPh(2)) prepared from Li(C(6)H(4))PPh(2) and HBCl(N(i)Pr(2)) toward the bis(dihydrogen) complex RuH(2)(H(2))(2)(PCy(3))(2) (1) was studied by a combination of DFT, X-ray, and multinuclear NMR techniques including solid-state NMR, a technique rarely employed in organometallic chemistry. The study showed that the complex RuH(2){HB(N(i)Pr(2))C(6)H(4)(o-PPh(2))}(PCy(3))(2) (3), isolated in excellent yield as yellow crystals and characterized by X-ray diffraction, led in solution to PCy(3) dissociation and formation of an unsaturated 16-electron complex RuH(2){HB(N(i)Pr(2))C(6)H(4)(o-PPh(2))}(PCy(3)) (4), with a hydride trans to a vacant site. In both cases, the (phosphinoaryl)(amino)borane acts as a bifunctional ligand through the phosphine moiety and a Ru-H-B interaction, thus featuring an agostic interaction.
authors: CNRS, Laboratoire de Chimie de Coordination, Toulouse, France.
authors: Yann
authors: Y
authors: Gloaguen
authors: Gilles
authors: G
authors: Alcaraz
authors: Alban S
authors: AS
authors: Petit
authors: Eric
authors: E
authors: Clot
authors: Yannick
authors: Y
authors: Coppel
authors: Laure
authors: L
authors: Vendier
authors: Sylviane
authors: S
authors: Sabo-Etienne
mesh_terms: D001880:Boranes / Q000737:chemistry*; D018360:Crystallography, X-Ray; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008968:Molecular Conformation; D009942:Organometallic Compounds / Q000737:chemistry*; D010720:Phosphines / Q000737:chemistry*; D011789:Quantum Theory; D012428:Ruthenium / Q000737:chemistry*; D012996:Solutions
chemical_list: D001880:Boranes; D009942:Organometallic Compounds; D010720:Phosphines; D012996:Solutions; D012428:Ruthenium