Attractive noncovalent interactions in the mechanism of grubbs second-generation Ru catalysts for olefin metathesis.
Second-generation ruthenium carbenoid catalysts for olefin metathesis are a hundred to a thousand times more active than first-generation catalysts, despite a slower initiation step. A new density functional capable of treating medium-range correlation energy shows that the relative rates of generation of the catalyst are determined by attractive noncovalent interactions.
Zhao
Yan
Y
Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, MN 55455, USA.
Truhlar
Donald G
DG