title: Thermochemistry and molecular structure of a remarkable agostic interaction in a heterobifunctional ruthenium-boron complex.
abstract: A boron-pendant ruthenium species forms a unique agostic methyl bridge between the boron and ruthenium atoms in the presence of a ligating solvent, acetonitrile. NMR inversion-recovery experiments enabled the activation and equilibrium thermochemistry for formation of the agostic bridge to be measured. The mechanism for bridge formation involves displacement of an acetonitrile ligand; thus, this is a rare example of a case where an agostic C-H ligand competitively displaces another tightly binding ligand from a coordinatively saturated complex. Characterization of this complex gives unique insights into the development of C-H activation catalysis based on this ligand-metal bifunctional motif.
authors.affiliation: Loker Hydrocarbon Research Institute and Department of Chemistry, University of Southern California, Los Angeles, California 90089-1661, USA.
authors.forename: Brian L
authors.initials: BL
authors.lastname: Conley
authors.forename: Travis J
authors.initials: TJ
authors.lastname: Williams
mesh_terms: D001895:Boron / Q000737:chemistry*; D002244:Carbon / Q000737:chemistry; D018360:Crystallography, X-Ray; D006859:Hydrogen / Q000737:chemistry; D009942:Organometallic Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D012428:Ruthenium / Q000737:chemistry*; D013696:Temperature
chemical_list: D009942:Organometallic Compounds; D002244:Carbon; D012428:Ruthenium; D006859:Hydrogen; D001895:Boron