Issue 42, 2011

Comparison of different ruthenium–alkylidene bonds in the activation step with N-heterocyclic carbene Ru-catalysts for olefins metathesis

Abstract

Density functional theory calculations have been used to investigate the activation steps involving three of the most used alkylidene groups in Ru-catalysts for olefins metathesis. Specifically, we compared the benzylidene, the indenylidene and a phosphonium alkylidene groups. Calculations reveal that the benzylidene and the indenylidene groups behave rather similarly, despite their structural differences. The phosphonium alkylidene group seems to have the most favourable activation pathway.

Graphical abstract: Comparison of different ruthenium–alkylidene bonds in the activation step with N-heterocyclic carbene Ru-catalysts for olefins metathesis

Supplementary files

Article information

Article type
Communication
Submitted
22 May 2011
Accepted
08 Jul 2011
First published
09 Aug 2011

Dalton Trans., 2011,40, 11066-11069

Comparison of different ruthenium–alkylidene bonds in the activation step with N-heterocyclic carbene Ru-catalysts for olefins metathesis

A. Poater, F. Ragone, A. Correa and L. Cavallo, Dalton Trans., 2011, 40, 11066 DOI: 10.1039/C1DT10959F

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