Olefin metathesis is a versatile synthetic tool for the redistribution of alkylidene fragments at
carbon–carbon double bonds. This field, and more specifically the development of task …

To investigate the initial chemical events associated with high-temperature gas-phase
oxidation of hydrocarbons, we have expanded the ReaxFF reactive force field training set to …

The second-generation Grubbs catalyst contains N-heterocyclic carbene (NHC) coordinated
to Ru center. Various such complexes have been employed as catalysts for the olefin …

We present benchmark relative energetics in the catalytic cycle of a model system for
Grubbs second-generation olefin metathesis catalysts. The benchmark data were …

Rationally designed Ru-based catalysts for efficient Z-selective olefin metathesis are
featured. The new complexes contain a dithiolate ligand and can be accessed in a single …

The mechanism and origins of Z-selectivity in olefin metathesis with chelated Ru catalysts
were explored using density functional theory. The olefin approaches from the “side” …

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 …

The phosphonium alkylidene [(NHC) Cl2Ru= CH (PCy3)]+[B (C6F5) 4]-, 1,(NHC= N-
heterocyclic carbene, Cy= cyclohexyl, C6H11) reacts with 2.2 equiv of ethylene at− 50° C to …

Olefin metathesis catalysed by ruthenium has emerged at the frontier of modern synthetic
chemistry. The desire to enhance catalyst stability, gain control over the catalytic process …

Novel metathesis catalysts that are derivatives of 8-vinylquinoline,(H2IMes)(Cl) 2Ru (CH-κ2
(C, N)-8-C9H6N)(1a; H2IMes= 1, 3-dimesityl-4, 5-dihydroimidzol-2-ylidene), and 5 …