Autor segons l'article: Pena Carrodeguas, Leticia; Gonzalez-Fabra, Joan; Castro-Gomez, Fernando; Bo, Carles; Kleij, Arjan W.;
Departament: Química Física i Inorgànica
Autor/s de la URV: Bo Jané, Carles
Paraules clau: 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
Resum: 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.
Àrees temàtiques: 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
Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/
Adreça de correu electrònic de l'autor: carles.bo@urv.cat
Identificador de l'autor: 0000-0001-9581-2922
Data d'alta del registre: 2024-08-03
Versió de l'article dipositat: info:eu-repo/semantics/acceptedVersion
URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/
Referència a l'article segons font original: Chemistry-A European Journal. 21 (16): 6115-6122
Referència 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
Entitat: Universitat Rovira i Virgili
Any de publicació de la revista: 2015
Tipus de publicació: Journal Publications
Repositori URV