Reinvestigation of the Deceptively Simple Reaction of Toluene with OH and the Fate of the Benzyl Radical: The “Hidden” Routes to Cresols and Benzaldehyde

[Image: see text] In a previous work, we have investigated the initial steps of the reaction of toluene with the hydroxyl radical using several quantum chemical approaches including density functional and composite post-Hartree–Fock models. Comparison of H-abstraction from the methyl group and addit...

Descripción completa

Detalles Bibliográficos
Autores principales: Salta, Zoi, Kosmas, Agnie M., Segovia, Marc E., Kieninger, Martina, Tasinato, Nicola, Barone, Vincenzo, Ventura, Oscar N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8008427/
https://www.ncbi.nlm.nih.gov/pubmed/32543200
http://dx.doi.org/10.1021/acs.jpca.0c03727

Ejemplares similares

Ejemplares similares