What is the initiation step of the Grubbs-Hoveyda olefin metathesis catalyst?

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 ar...

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Veröffentlicht in:Chemical communications (Cambridge, England) England), 2011-05, Vol.47 (19), p.5428-5430
Hauptverfasser: Ashworth, Ian W, Hillier, Ian H, Nelson, David J, Percy, Jonathan M, Vincent, Mark A
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Sprache:eng
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Zusammenfassung: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.
ISSN:1359-7345
1364-548X
DOI:10.1039/c1cc11230a