Low‐Basicity Oxygen Atoms: A Key in the Search for Propylene Epoxidation Catalysts

Angewandte Chemie International EditionVolume 46, Issue 12 p. 2055-2058 Communication Low-Basicity Oxygen Atoms: A Key in the Search for Propylene Epoxidation Catalysts† Daniel Torres, Daniel Torres Dept. Quimica Fisica and CeRQT, Universitat de Barcelona c/Marti i Franques 1, 08028 Barcelona, SpainSearch for more papers by this authorNuria Lopez Dr., Nuria Lopez Dr. nlopez@iciq.es Institute of Chemistry of Catalonia, ICIQ, Avgda. Paisos Catalans 16, 43007 Tarragona, Spain, Fax: (+34) 977-920-237 Dept. Quimica Fisica and CeRQT, Universitat de Barcelona c/Marti i Franques 1, 08028 Barcelona, SpainSearch for more papers by this authorFrancesc Illas Prof. Dr., Francesc Illas Prof. Dr. Dept. Quimica Fisica and CeRQT, Universitat de Barcelona c/Marti i Franques 1, 08028 Barcelona, SpainSearch for more papers by this authorRichard M. Lambert Prof. Dr., Richard M. Lambert Prof. Dr. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UKSearch for more papers by this author Daniel Torres, Daniel Torres Dept. Quimica Fisica and CeRQT, Universitat de Barcelona c/Marti i Franques 1, 08028 Barcelona, SpainSearch for more papers by this authorNuria Lopez Dr., Nuria Lopez Dr. nlopez@iciq.es Institute of Chemistry of Catalonia, ICIQ, Avgda. Paisos Catalans 16, 43007 Tarragona, Spain, Fax: (+34) 977-920-237 Dept. Quimica Fisica and CeRQT, Universitat de Barcelona c/Marti i Franques 1, 08028 Barcelona, SpainSearch for more papers by this authorFrancesc Illas Prof. Dr., Francesc Illas Prof. Dr. Dept. Quimica Fisica and CeRQT, Universitat de Barcelona c/Marti i Franques 1, 08028 Barcelona, SpainSearch for more papers by this authorRichard M. Lambert Prof. Dr., Richard M. Lambert Prof. Dr. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UKSearch for more papers by this author First published: 02 March 2007 https://doi.org/10.1002/anie.200603803Citations: 118 † We acknowledge financial support from MEC grants (CTQ2005-08459-CO2-01, UNBA05-33-001, CSD2006-003, CTQ2006-00464BQU), GenCat, the ICIQ Foundation, and BSC. Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat Abstract Gotta have copper: DFT studies indicate that the performance of heterogeneous epoxidation catalysts depends on the first step in the reaction between oxygen atoms and propylene molecules coadsorbed on the metal surface (see picture; C yellow, H light blue, O red). The high basicity of oxygen atoms on silver favors allylic hydrogen stripping, whereas the low basicity of oxygen atoms on copper favors metallacycle formation and subsequent epoxidation. Citing Literature Volume46, Issue12March 12, 2007Pages 2055-2058 RelatedInformation