Issue 46, 2008
From the journal:

Chemical Communications

Relevance of cis- and trans-dichlorideRu intermediates in Grubbs-IIolefinmetathesis catalysis (H2IMesCl2Ru[double bond, length as m-dash]CHR)†

Diego Benitez,a   Ekaterina Tkatchouka  and  William A. Goddard III*a  

* Corresponding authors

a Materials and Process Simulation Center (139-74), California Institute of Technology, Pasadena, USA
E-mail: wag@wag.caltech.edu
Tel: +1-626-395-2731

Abstract

Using density functional theory with the B3LYP and M06 functionals, we show conclusively that the (H2IMes)(Cl)2Ru olefin metathesis mechanism is bottom-bound with the chlorides remaining trans throughout the reaction, thus attempts to effect diastereo- and enantioselectivity should focus on manipulations that maintain the trans-dichloro Ru geometry.

Graphical abstract: Relevance of cis- and trans-dichloride Ru intermediates in Grubbs-II olefin metathesis catalysis (H2IMesCl2Ru [[double bond, length as m-dash]] CHR)

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Article information

DOI
https://doi.org/10.1039/B815665D
Article type
Communication
Submitted
08 Sep 2008
Accepted
02 Oct 2008
First published
23 Oct 2008

Chem. Commun., 2008, 6194-6196

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Relevance of cis- and trans-dichloride Ru intermediates in Grubbs-II olefin metathesis catalysis (H2IMesCl2Ru[double bond, length as m-dash]CHR)

D. Benitez, E. Tkatchouk and W. A. Goddard III, Chem. Commun., 2008, 6194 DOI: 10.1039/B815665D

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