Author, as appears in the article.: Pena Carrodeguas, Leticia; Gonzalez-Fabra, Joan; Castro-Gomez, Fernando; Bo, Carles; Kleij, Arjan W.;
Department: Química Física i Inorgànica
URV's Author/s: Bo Jané, Carles
Keywords: 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
Abstract: 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.
Thematic Areas: 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
licence for use: https://creativecommons.org/licenses/by/3.0/es/
Author's mail: carles.bo@urv.cat
Author identifier: 0000-0001-9581-2922
Record's date: 2024-08-03
Papper version: info:eu-repo/semantics/acceptedVersion
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Papper original source: Chemistry-A European Journal. 21 (16): 6115-6122
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
Entity: Universitat Rovira i Virgili
Journal publication year: 2015
Publication Type: Journal Publications
Repositori URV