title: H2 oxidation versus organic substrate oxidation in non-heme iron mediated reactions with H2O2.
abstract: Herein we show that species generated upon reaction of α-[Fe(CF3SO3)2(BPMCN)] (BPMCN = N,N'-bis(2-pyridylmethyl)-trans-1,2-diaminocyclohexane) with H2O2 (putatively [Fe(V)(O)(OH)(BPMCN)]) is able to efficiently oxidize H2 to H2O even in the presence of organic substrates, while species formed in the presence of acetic acid (putatively [Fe(V)(O)(OAc)(BPMCN)]) prefer organic substrate oxidation over H2 activation. Mechanistic implications have been analysed with the aid of computational methods.
authors: Departamento de Química Inorgánica, Universidad Autónoma de Madrid, 28049 Madrid, Spain. ruben.mas@uam.es.
authors: Azin
authors: A
authors: Hassanpour
authors: Ferran
authors: F
authors: Acuña-Parés
authors: Josep M
authors: JM
authors: Luis
authors: Olaf
authors: O
authors: Cusso
authors: Silvia
authors: S
authors: Morales de la Rosa
authors: José Miguel
authors: JM
authors: Campos-Martín
authors: Jose L G
authors: JL
authors: Fierro
authors: Miquel
authors: M
authors: Costas
authors: Julio
authors: J
authors: Lloret-Fillol
authors: Rubén
authors: R
authors: Mas-Ballesté
mesh_terms: D006418:Heme; D006859:Hydrogen / Q000737:chemistry*; D006861:Hydrogen Peroxide / Q000737:chemistry*; D058085:Iron Compounds / Q000737:chemistry*; D008968:Molecular Conformation; D010084:Oxidation-Reduction; D014867:Water / Q000737:chemistry*
chemical_list: D058085:Iron Compounds; D014867:Water; D006418:Heme; D006859:Hydrogen; D006861:Hydrogen Peroxide