Structural and Mechanistic Basis of the Fast Metathesis Initiation by a Six-Coordinated Ruthenium Catalyst Bartosz Trzaskowski Karol Grela 10.1021/om400233s.s001 https://acs.figshare.com/articles/journal_contribution/Structural_and_Mechanistic_Basis_of_the_Fast_Metathesis_Initiation_by_a_Six_Coordinated_Ruthenium_Catalyst/2398180 The N-heterocyclic carbene coordinated ruthenium benzylidene complex [(H<sub>2</sub>IMes)­(PCy<sub>3</sub>)­(Cl)<sub>2</sub>RuCHPh], a highly active olefin metathesis catalyst, is known to convert into a very fast initiator in the presence of pyridine or 3-bromopyridine. Computational studies presented in this work reveal the mechanistic basis of this phenomenon. Depending on the size of the olefin, the reaction follows either a dissociative or associative mechanism. 2013-07-08 00:00:00 olefin metathesis catalyst phenomenon ruthenium benzylidene CatalystThe Ruthenium presence Computational studies Structural basis 2IMe pyridine carbene associative mechanism Mechanistic Basis initiator dissociative bromopyridine Fast Metathesis Initiation