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J Am Chem Soc. 2004 Nov 10;126(44):14332-3.

DFT prediction and experimental observation of substrate-induced catalyst decomposition in ruthenium-catalyzed olefin metathesis.

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  • 1Sasol Technology (Pty), Ltd., R&D Division, 1 Klasie Havenga Road, Sasolburg 9570, South Africa. werner.jansevanrensburg@sasol.com

Abstract

Ruthenacyclobutane decomposition, involving competitive beta-hydride transfer to Ru and reductive olefin elimination during ruthenium-catalyzed olefin metathesis, is predicted by density functional theory calculations and experimentally confirmed by propene and butene formation during degenerate Ru-methylidene-catalyzed metathesis of ethylene. The results provide new focus on the nature of ruthenium metathesis catalyst decomposition under catalytic conditions.

PMID:
15521734
DOI:
10.1021/ja0453174
[PubMed]
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