Autor según el artículo: Gonzalez-Fabra, Joan; Castro-Gomez, Fernando; Kleij, Arjan W.; Bo, Carles;
Departamento: Química Física i Inorgànica
Autor/es de la URV: Bo Jané, Carles
Palabras clave: Salen complexes Propylene-oxide Poly(limonene carbonate) Organic carbonates Molecular calculations Homogeneous catalysis Dizinc catalyst Dft analysis Cyclohexene oxide Cyclic carbonates Copolymerization Climate-change Catàlisi homogènia Carbon dioxide Alternating copolymerization dft analysis cyclohexene oxide copolymerization carbon dioxide
Resumen: A detailed study on the mechanism for the alternating copolymerization of cyclohexene oxide (CHO) and CO2 mediated by an [Al{amino-tri(phenolate)}]/NBu4I binary catalyst system was performed by using DFT-based methods. Four potential mechanisms (one monometallic and three bimetallic) were considered for the first propagation cycle of the CHO/CO2 copolymer A detailed study on the mechanism for the alternating copolymerization of cyclohexene oxide (CHO) and CO2 mediated by an [Al{amino-tri(phenolate)}]/NBu4I binary catalyst system was performed by using DFT-based methods. Four potential mechanisms (one monometallic and three bimetallic) were considered for the first propagation cycle of the CHO/CO2 copolymer.
Áreas temáticas: Química Materials science (miscellaneous) Materials science (all) Materiais Interdisciplinar Green & sustainable science & technology General materials science General energy General chemical engineering Farmacia Environmental chemistry Engenharias iii Engenharias ii Energy (miscellaneous) Energy (all) Chemistry, multidisciplinary Chemical engineering (miscellaneous) Chemical engineering (all) Biotecnología 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: 2024-09-07
Versión del articulo depositado: info:eu-repo/semantics/acceptedVersion
Enlace a la fuente original: https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cssc.201601520
URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
Referencia al articulo segun fuente origial: Chemsuschem. 10 (6): 1233-1240
Referencia de l'ítem segons les normes APA: Gonzalez-Fabra, Joan; Castro-Gomez, Fernando; Kleij, Arjan W.; Bo, Carles; (2017). Mechanistic Insights into the Carbon Dioxide/Cyclohexene Oxide Copolymerization Reaction: Is One Metal Center Enough?. Chemsuschem, 10(6), 1233-1240. DOI: 10.1002/cssc.201601520
DOI del artículo: 10.1002/cssc.201601520
Entidad: Universitat Rovira i Virgili
Año de publicación de la revista: 2017
Tipo de publicación: Journal Publications
Repositori URV