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Issue 8, 2011
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A computational perspective of olefins metathesis catalyzed by N-heterocyclic carbene ruthenium (pre)catalysts

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Abstract

In recent years olefin metathesis catalyzed by N-heterocyclic carbene ruthenium complexes has attracted remarkable attention as a versatile tool to form new C[double bond, length as m-dash]C bonds. The last developed (pre)catalysts show excellent performances, and this achievement has been possible because of continuous experimental and computational efforts to understand the laws controlling the behavior of these systems. This perspective rapidly traces the ideas and discoveries that computational chemistry contributed to the development of these catalysts, with particular emphasis on catalysts presenting a N-heterocyclic carbene ligand.

Graphical abstract: A computational perspective of olefins metathesis catalyzed by N-heterocyclic carbene ruthenium (pre)catalysts

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Publication details

The article was received on 13 Feb 2011, accepted on 12 Jun 2011 and first published on 25 Jul 2011


Article type: Perspective
DOI: 10.1039/C1CY00052G
Catal. Sci. Technol., 2011,1, 1287-1297

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    A computational perspective of olefins metathesis catalyzed by N-heterocyclic carbene ruthenium (pre)catalysts

    R. Credendino, A. Poater, F. Ragone and L. Cavallo, Catal. Sci. Technol., 2011, 1, 1287
    DOI: 10.1039/C1CY00052G

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