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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Veröffentlicht in:	Chemical science (Cambridge) 2017, Vol.8 (12), p.8373-8383
Hauptverfasser:	Vilella, Laia, Conde, Ana, Balcells, David, Díaz-Requejo, M. Mar, Lledós, Agustí, Pérez, Pedro J
Format:	Artikel
Sprache:	eng
Schlagworte:	Benzene Catalysis Chemistry Copper Hydrocarbons Hydrogen peroxide Hydroxylation Substitutes Transformations
Online-Zugang:	Volltext
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