Author, as appears in the article.: El Aouni, N; Redondo, CL; Bin Yeamin, M; Aghmiz, A; Reguero, M; Masdeu-Bultó, AM
Department: Química Física i Inorgànica
URV's Author/s: Aghmiz, Ali / El Aouni, Nassima / Jiménez López, María Dolores / Masdeu Bultó, Anna Maria / Reguero de la Poza, Maria del Mar / Yeamin, MD Bin
Keywords: Zinc complexes Schiff base ligands N4-donor ligands Dft calculations Cyclic carbonates Carbon dioxide
Abstract: Zinc(II) complexes [Zn(L1-L5)Cl2] with tetra-aza donor ligands bearing phenanthroline and bipyridine bis(aniline) skeleton L1-L5 have been prepared and characterised. These ligands were selected to analyse the influence on the catalytic activity for the CO2-cycloaddition to epoxides of three parameters: the steric hindrance of the orto substituent of the aniline ring, the central skeleton and the nature of the non-aromatic amine. X-ray diffraction characterisation of [Zn(L1)Cl2] and [Zn(L2)Cl2] showed that the geometry is pentacoordinate while in the case of [Zn(L5)Cl2] a four-coordinate tetrahedral complex was formed. Computational calculations using density functional theory methods (DFT) agreed with these results. These complexes combined with tetrabutylammonium bromide (TBAB) are very selective for the CO2/terminal epoxides coupling to form cyclic carbonates providing activity up to TOF 565 h−1.
Thematic Areas: Process chemistry and technology Physical and theoretical chemistry Chemistry, physical Catalysis
licence for use: https://creativecommons.org/licenses/by/3.0/es/
Author's mail: ali.aghmiz@urv.cat nassima.elaouni@urv.cat mariadolores.jimenez@urv.cat annamaria.masdeu@urv.cat mar.reguero@urv.cat
Author identifier: 0000-0001-5544-3210 0000-0001-7938-3902 0000-0001-9668-8265
Record's date: 2024-08-03
Papper version: info:eu-repo/semantics/publishedVersion
Link to the original source: https://www.sciencedirect.com/science/article/pii/S2468823123000792
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Papper original source: Molecular Catalysis. 538
APA: El Aouni, N; Redondo, CL; Bin Yeamin, M; Aghmiz, A; Reguero, M; Masdeu-Bultó, AM (2023). Influence of structural properties of zinc complexes with N4-donor ligands on the catalyzed cycloaddition of CO2 to epoxides into cyclic carbonates. Molecular Catalysis, 538(), -. DOI: 10.1016/j.mcat.2023.112992
Article's DOI: 10.1016/j.mcat.2023.112992
Entity: Universitat Rovira i Virgili
Journal publication year: 2023
Publication Type: Journal Publications
Repositori URV