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A competing, dual mechanism for catalytic direct benzene hydroxylation from combined experimental-DFT studies

A dual mechanism for direct benzene catalytic hydroxylation is described. Experimental studies and DFT calculations have provided a mechanistic explanation for the acid-free, Tp(x)Cu-catalyzed hydroxylation of benzene with hydrogen peroxide (Tp(x) = hydrotrispyrazolylborate ligand). In contrast with...

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Detalles Bibliográficos
Autores principales:	Vilella, Laia, Conde, Ana, Balcells, David, Díaz-Requejo, M. Mar, Lledós, Agustí, Pérez, Pedro J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Royal Society of Chemistry 2017
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5863614/ https://www.ncbi.nlm.nih.gov/pubmed/29619184 http://dx.doi.org/10.1039/c7sc02898a

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