22 research outputs found
Catalytic N−N Coupling of Aryl Azides To Yield Azoarenes via Trigonal Bipyramid Iron−Nitrene Intermediates
Crystal Structure of Mononuclear Non-Heme Nikel(II) Octahedral Complex: [Ni(bqenH2)(bpy)](ClO4)2·0.125H2O
Amberlyst A21 Catalyzed Chromatography-Free Method for Multicomponent Synthesis of Dihydropyrano[2,3- c
Determination of Spin Inversion Probability, H-Tunneling Correction, and Regioselectivity in the Two-State Reactivity of Nonheme Iron(IV)-Oxo Complexes
Theoretical Study on the Aliphatic C-H Bond Activation by a Mononuclear Manganese(III) Iodosylbenzene Complex
We present a theoretical study on the aliphatic C-H bond activation of cyclohexadiene (CHD) by a mononuclear manganese(III) iodosylbenzene complex [Mn-III(TBDAP)(OIPh)(OH)](2+) (1). The results suggest that the first step is overall characterized as hydride transfer. However, at the more fundamental level, this step consists of a hydrogen atom transfer and a subsequent electron transfer