Author, as appears in the article.: Maria Biosca; Rosalba Bellini; Marc Magre; Per-Ola Norrby; Oscar Pàmies; Montserrat Diéguez; Christina Moberg
Department: Química Física i Inorgànica
URV's Author/s: BIOSCA BRULL, MARIA; Rosalba Bellini; Marc Magre; Per-Ola Norrby; PAMIES OLLÉ, OSCAR; DIÉGUEZ FERNÁNDEZ, MONTSERRAT; Christina Moberg
Keywords: allylic substitution DFT study tropos P,N-ligands
Abstract: Excellent enantioselectivities are observed in palladium-catalyzed allylic substitutions of a wide range of substrate types and nucleophiles using a bidentate ligand composed of oxazoline and chirally flexible biaryl phosphite elements. This unusually wide substrate scope is shown by experimental and theoretical studies of its ¿3-allyl and ¿2-olefin complexes not to be a result of configurational interconversion of the biaryl unit, since the ligand in all reactions adopts an Sa,S configuration on coordination to palladium, but rather the ability of the ligand to adapt the size of the substrate-binding pocket to the reacting substrate. This ability also serves as an explanation to its excellent performance in other types of catalytic processes.
Research group: Organometàl.lics i Catàlisi Homogènia
Thematic Areas: Química Química Chemistry
licence for use: https://creativecommons.org/licenses/by/3.0/es/
ISSN: 2155-5435
Author identifier: n/a; n/a; n/a; 0000-0002-2419-0705; 0000-0002-2352-8508; 0000-0002-8450-0656; 0000-0002-1743-7650
Record's date: 2016-05-24
Last page: 1712
Journal volume: 6
Papper version: info:eu-repo/semantics/submittedVersion
Link to the original source: https://pubs.acs.org/doi/10.1021/acscatal.5b02766
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Article's DOI: 10.1021/acscatal.5b02766
Entity: Universitat Rovira i Virgili
Journal publication year: 2016
First page: 1701
Publication Type: Post-print
Repositori URV