DFT prediction and experimental observation of substrate-induced catalyst decomposition in ruthenium-catalyzed olefin metathesis.
Ruthenacyclobutane decomposition, involving competitive beta-hydride transfer to Ru and reductive olefin elimination during ruthenium-catalyzed olefin metathesis, is predicted by density functional theory calculations and experimentally confirmed by propene and butene formation during degenerate Ru-methylidene-catalyzed metathesis of ethylene. The results provide new focus on the nature of ruthenium metathesis catalyst decomposition under catalytic conditions.
Janse van Rensburg
Werner
W
Sasol Technology (Pty), Ltd., R&D Division, 1 Klasie Havenga Road, Sasolburg 9570, South Africa. werner.jansevanrensburg@sasol.com
Steynberg
Petrus J
PJ
Meyer
Wolfgang H
WH
Kirk
Megan M
MM
Forman
Grant S
GS