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Updated: Jun 4, 2026

Heterogeneous Removal of Water-Soluble Ruthenium Olefin Metathesis Catalyst from Aqueous Media Via Host-Guest Interaction
Published on: August 23, 2018
The intriguing modeling of cis-trans selectivity in ruthenium-catalyzed olefin metathesis
Naeimeh Bahri-Laleh1, Raffaele Credendino, Luigi Cavallo
1MoLNaC - Modeling Lab for Nanostructures and Catalysis (http://www.molnac.unisa.it), Dipartimento di Chimica, Università di Salerno, Via Ponte don Melillo, I-84084 Fisciano (SA), Italy.
Abstract:
In this study we have investigated computationally the origin of the cis-trans selectivity in the Ru-catalyzed cross metathesis (CM) of a prototype monosubstituted olefin, i.e., propene. Our calculations suggest that the origin of the preferential formation of trans-olefins is in the product release step, which prevents the initially formed cis-olefin from escaping the metal, and returns it to the reaction pool until the trans-olefin is formed.
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