Autor según el artículo: Biosca, M; de la Cruz-Sánchez, P; Faiges, J; Margalef, J; Salomó, E; Riera, A; Verdaguer, X; Ferré, J; Maseras, F; Besora, M; Pamies, O; Diéguez, M
Departamento: Química Física i Inorgànica
Autor/es de la URV: Besora Bonet, Maria / Biosca Brull, Maria / De La Cruz Sánchez Badia, Pol / Diéguez Fernández, Montserrat / Faiges Marcos, Jorge / Ferré Baldrich, Joan / Margalef Pallarès, Jèssica / Pamies Ollé, Oscar
Palabras clave: Unfunctionalized olefins P-n ligands Oxazoline ligands Organic carbonates Olefins Minimally functionalized olefins Mechanistic insights Matrix metalloproteinases Iridium Highly enantioselective hydrogenation Gaussian-basis sets Effective core potentials Dft calculations Correlated molecular calculations Asymmetric hydrogenation
Resumen: The Ir-MaxPHOX-type catalysts demonstrated high catalytic performance in the hydrogenation of a wide range of nonchelating olefins with different geometries, substitution patterns, and degrees of functionalization. These air-stable and readily available catalysts have been successfully applied in the asymmetric hydrogenation of di-, tri-, and tetrasubstituted olefins (ee ' s up to 9996). The combination of theoretical calculations and deuterium labeling experiments led to the uncovering of the factors responsible for the enantioselectivity observed in the reaction, allowing the rationalization of the most suitable substrates for these Ircatalysts.
Áreas temáticas: Química Materiais Interdisciplinar General chemistry Engenharias ii Ciências agrárias i Chemistry, physical Chemistry (miscellaneous) Chemistry (all) Catalysis Astronomia / física
Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
Direcció de correo del autor: maria.biosca@urv.cat maria.besora@urv.cat pol.delacruzsanchez@estudiants.urv.cat pol.delacruzsanchez@estudiants.urv.cat jorge.faiges@urv.cat oscar.pamies@urv.cat joan.ferre@urv.cat montserrat.dieguez@urv.cat
Identificador del autor: 0000-0002-9116-6318 0000-0002-6656-5827 0000-0002-2352-8508 0000-0001-6240-413X 0000-0002-8450-0656
Fecha de alta del registro: 2024-08-03
Versión del articulo depositado: info:eu-repo/semantics/publishedVersion
URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
Referencia al articulo segun fuente origial: Acs Catalysis. 3020-3035
Referencia de l'ítem segons les normes APA: Biosca, M; de la Cruz-Sánchez, P; Faiges, J; Margalef, J; Salomó, E; Riera, A; Verdaguer, X; Ferré, J; Maseras, F; Besora, M; Pamies, O; Diéguez, M (2023). P-Stereogenic Ir-MaxPHOX: A Step toward Privileged Catalysts for Asymmetric Hydrogenation of Nonchelating Olefins. Acs Catalysis, (), 3020-3035. DOI: 10.1021/acscatal.2c05579
Entidad: Universitat Rovira i Virgili
Año de publicación de la revista: 2023
Tipo de publicación: Journal Publications
Repositori URV