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.
- olefin metathesis
- metathesis catalyst
- alkene substrates
- alkoxy ligands
Ashworth, I. W., Hillier, I. H., Nelson, D. J., Percy, J. M., & Vincent, M. A. (2011). What is the initiation step of the Grubbs-Hoveyda olefin metathesis catalyst? Chemical Communications, 47(19), 5428-5430. https://doi.org/10.1039/c1cc11230a