title: C-H oxidation by hydroxo manganese(v) porphyrins: a DFT study.
abstract: A DFT study on toluene oxidation by Mn(V) porphyrins shows that both MnV(O) and, remarkably, MnV(OH) are potent H-atom abstractors.
authors.affiliation: Université Montpellier 2, Institut Charles Gerhardt, CNRS 5253, cc-1501 Place Eugène Bataillon, 34095, Montpellier, France.
authors.forename: David
authors.initials: D
authors.lastname: Balcells
authors.forename: Christophe
authors.initials: C
authors.lastname: Raynaud
authors.forename: Robert H
authors.initials: RH
authors.lastname: Crabtree
authors.forename: Odile
authors.initials: O
authors.lastname: Eisenstein
mesh_terms: D002244:Carbon / Q000737:chemistry*; D006859:Hydrogen / Q000737:chemistry*; D010084:Oxidation-Reduction; D011166:Porphyrins / Q000737:chemistry*
chemical_list: D011166:Porphyrins; D002244:Carbon; D006859:Hydrogen