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The Strathprints institutional repository is a digital archive of University of Strathclyde's Open Access research outputs. Strathprints provides access to thousands of Open Access research papers by University of Strathclyde researchers, including by researchers from the Department of Computer & Information Sciences involved in mathematically structured programming, similarity and metric search, computer security, software systems, combinatronics and digital health.

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Searching for the hidden hydrides : the competition between alkene isomerization and metathesis with Grubbs catalysts

Ashworth, Ian W. and Hillier, Ian H. and Nelson, David J and Percy, Jonathan M and Vincent, Mark A. (2012) Searching for the hidden hydrides : the competition between alkene isomerization and metathesis with Grubbs catalysts. European Journal of Organic Chemistry, 2012 (29). 5673–5677. ISSN 1434-193X

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Abstract

Although Grubbs metathesis catalysts have enabled syntheses of a range of molecules, alkene isomerization, a known and problematic side reaction, is poorly understood. Several mechanisms which have been advanced to account for isomerization were studied by using electronic structure calculations. The pathway catalyzed by a ruthenium hydride emerged as the most facile process by a significant margin. For the first time, we have obtained experimental evidence for the presence of this species in a metathesis-active system.