title: What is the initiation step of the Grubbs-Hoveyda olefin metathesis catalyst?
abstract: Density function theory calculations reveal that the Grubbs-Hoveyda olefin metathesis pre-catalyst is activated by the formation of a complex in which the incoming alkene substrate and outgoing alkoxy ligand are both clearly associated with the ruthenium centre. The computed energies for reaction are in good agreement with the experimental values, reported here.
authors.affiliation: AstraZeneca Global Research and Development, Silk Road Business Park, Charter Way, Macclesfield, SK10 2NA, UK.
authors.forename: Ian W
authors.initials: IW
authors.lastname: Ashworth
authors.forename: Ian H
authors.initials: IH
authors.lastname: Hillier
authors.forename: David J
authors.initials: DJ
authors.lastname: Nelson
authors.forename: Jonathan M
authors.initials: JM
authors.lastname: Percy
authors.forename: Mark A
authors.initials: MA
authors.lastname: Vincent
mesh_terms: D000475:Alkenes / Q000737:chemistry*; D002384:Catalysis; D008958:Models, Molecular; D008968:Molecular Conformation; D011789:Quantum Theory
chemical_list: D000475:Alkenes