Thermochemistry and molecular structure of a remarkable agostic interaction in a heterobifunctional ruthenium-boron complex

J Am Chem Soc. 2010 Feb 17;132(6):1764-5. doi: 10.1021/ja909858a.

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.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Boron / chemistry*
  • Carbon / chemistry
  • Crystallography, X-Ray
  • Hydrogen / chemistry
  • Organometallic Compounds / chemical synthesis
  • Organometallic Compounds / chemistry*
  • Ruthenium / chemistry*
  • Temperature*

Substances

  • Organometallic Compounds
  • Carbon
  • Ruthenium
  • Hydrogen
  • Boron