Autor según el artículo: Pena Carrodeguas, Leticia; Gonzalez-Fabra, Joan; Castro-Gomez, Fernando; Bo, Carles; Kleij, Arjan W.;
Departamento: Química Física i Inorgànica
Autor/es de la URV: Bo Jané, Carles
Palabras clave: Sustainable chemistry Ring-opening Polymers Polycarbonate Organic carbonates Metal-complexes Highly efficient Epoxides Density functional calculations Cyclohexene oxide Cyclic carbonates Co2 copolymers Carbon-dioxide Asymmetric alternating copolymerization Aluminium ring-opening polymers density functional calculations aluminium
Resumen: Amino-triphenolate derived AlIII complexes combined with suitable nucleophiles have been investigated as binary catalysts for the coupling of limonene oxide and carbon dioxide to afford alternating polycarbonates. These catalysts are able to produce stereoregular, perfectly alternating trans-polymers from cis-limonene oxide, whereas the pure trans isomer and cis/trans mixture give rise to lower degrees of stereoregularity. The best AlIII catalyst shows the potential to mediate the conversion of both stereoisomers of limonene oxide with high conversion levels of up to 71 % under neat conditions, indicating the high degree of robustness and atom-efficiency of this catalytic process. Computational studies have revealed unique features of the binary catalyst system, among which is the preferred nucleophilic attack on the quaternary carbon centre in the limonene oxide substrate. © 2015 Wiley-VCH Verlag GmbH & Co. KGaA.
Áreas temáticas: Química Organic chemistry Medicina i Materiais Interdisciplinar General medicine General chemistry Farmacia Engenharias iii Engenharias ii Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências agrárias i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemistry Catalysis Biotecnología Biodiversidade Astronomia / física
Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
Direcció de correo del autor: carles.bo@urv.cat
Identificador del autor: 0000-0001-9581-2922
Fecha de alta del registro: 2024-08-03
Versión del articulo depositado: info:eu-repo/semantics/acceptedVersion
URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
Referencia al articulo segun fuente origial: Chemistry-A European Journal. 21 (16): 6115-6122
Referencia de l'ítem segons les normes APA: Pena Carrodeguas, Leticia; Gonzalez-Fabra, Joan; Castro-Gomez, Fernando; Bo, Carles; Kleij, Arjan W.; (2015). AlIII-Catalysed Formation of Poly(limonene)carbonate: DFT Analysis of the Origin of Stereoregularity. Chemistry-A European Journal, 21(16), 6115-6122. DOI: 10.1002/chem.201406334
Entidad: Universitat Rovira i Virgili
Año de publicación de la revista: 2015
Tipo de publicación: Journal Publications
Repositori URV