Autor según el artículo: Garay-Ruiz D; Zonta C; Lovat S; González-Fabra J; Bo C; Licini G
Departamento: Química Física i Inorgànica
Autor/es de la URV: Bo Jané, Carles / Garay Ruiz, Diego
Palabras clave: Oxygen-transfer oxidations chemistry approximation
Resumen: Interest in the catalytic activation of peroxides, together with the requirement of stereoselectivity for the production of enantiopure sulfoxides, has made sulfoxidation the ideal playground for theoretical and experimental physical organic chemists investigating oxidation reactivity. Efforts have been dedicated for elucidating the catalytic pathway regarding these species and for dissecting out the dominant factors influencing the yield and stereochemistry. In this article, Ti(IV) and Hf(IV) aminotriphenolate complexes have been prepared and investigated as catalysts in the presence of peroxides in sulfide oxidation. Experimental results have been combined with theoretical calculations obtaining detailed mechanistic information on oxygen transfer processes. The study revealed that steric issues are mainly responsible for the formation of intermediates in the oxidation pathway. In particular, we could highlight the occurrence of a blended situation where the steric effects of sulfides, ligands, and oxidants influence the formation of different intermediates and reaction pathways.
Áreas temáticas: Química Physical and theoretical chemistry Medicina i Materiais Interdisciplinar Inorganic chemistry General medicine Farmacia Engenharias iii Engenharias ii Engenharias i Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências agrárias i Chemistry, inorganic & nuclear Chemistry (miscellaneous) 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 diego.garay@estudiants.urv.cat
Identificador del autor: 0000-0001-9581-2922
Fecha de alta del registro: 2024-01-13
Versión del articulo depositado: info:eu-repo/semantics/publishedVersion
Enlace a la fuente original: https://pubs.acs.org/doi/10.1021/acs.inorgchem.2c00037
URL Documento de licencia: http://repositori.urv.cat/ca/proteccio-de-dades/
Referencia al articulo segun fuente origial: Inorganic Chemistry. 61 (10): 4494-4501
Referencia de l'ítem segons les normes APA: Garay-Ruiz D; Zonta C; Lovat S; González-Fabra J; Bo C; Licini G (2022). Elucidating Sulfide Activation Mode in Metal-Catalyzed Sulfoxidation Reactivity. Inorganic Chemistry, 61(10), 4494-4501. DOI: 10.1021/acs.inorgchem.2c00037
DOI del artículo: 10.1021/acs.inorgchem.2c00037
Entidad: Universitat Rovira i Virgili
Año de publicación de la revista: 2022
Tipo de publicación: Journal Publications
Repositori URV