Author, as appears in the article.: Garay-Ruiz D; Zonta C; Lovat S; González-Fabra J; Bo C; Licini G
Department: Química Física i Inorgànica
URV's Author/s: Bo Jané, Carles / Garay Ruiz, Diego
Keywords: Oxygen-transfer oxidations chemistry approximation
Abstract: 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.
Thematic Areas: 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
licence for use: https://creativecommons.org/licenses/by/3.0/es/
Author's mail: carles.bo@urv.cat diego.garay@estudiants.urv.cat
Author identifier: 0000-0001-9581-2922
Record's date: 2024-09-07
Papper version: info:eu-repo/semantics/publishedVersion
Link to the original source: https://pubs.acs.org/doi/10.1021/acs.inorgchem.2c00037
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Papper original source: Inorganic Chemistry. 61 (10): 4494-4501
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
Article's DOI: 10.1021/acs.inorgchem.2c00037
Entity: Universitat Rovira i Virgili
Journal publication year: 2022
Publication Type: Journal Publications