title: Oxidative properties of a nonheme Ni(II)(O2) complex: Reactivity patterns for C-H activation, aromatic hydroxylation and heteroatom oxidation.
abstract: Density functional theory calculations on the reactivity of a Ni(II)-superoxo complex in C-H bond activation, aromatic hydroxylation and heteroatom oxidation reactions have been explored; the Ni(II)-superoxo complex is able to react with substrates with weak C-H bonds and PPh(3).
authors: Manchester Interdisciplinary Biocenter and School of Chemical Engineering and Analytical Science, University of Manchester, 131 Princess Street, Manchester M1 7DN, UK.
authors: Reza
authors: R
authors: Latifi
authors: Laleh
authors: L
authors: Tahsini
authors: Devesh
authors: D
authors: Kumar
authors: G Narahari
authors: GN
authors: Sastry
authors: Wonwoo
authors: W
authors: Nam
authors: Sam P
authors: SP
authors: de Visser
mesh_terms: D002244:Carbon / Q000737:chemistry; D056831:Coordination Complexes / Q000737:chemistry*; D053138:Cyclohexenes / Q000737:chemistry; D006859:Hydrogen / Q000737:chemistry; D006900:Hydroxylation; D009532:Nickel / Q000737:chemistry*; D010084:Oxidation-Reduction; D010100:Oxygen / Q000737:chemistry*; D013816:Thermodynamics; D014966:Xanthenes / Q000737:chemistry
chemical_list: D056831:Coordination Complexes; D053138:Cyclohexenes; D014966:Xanthenes; C048401:1,4-cyclohexadiene; D002244:Carbon; D009532:Nickel; D006859:Hydrogen; D010100:Oxygen