Synthesis, Characterization, DFT Study, Catechol Oxidase and Phenoxazinone Synthase Like Activities of Two New Manganese(IV) Schiff Base Complexes

Abstract

Two manganese(IV) complexes [Mn(L)2](ClO4)2⋅0.88H2O (1) and [Mn(HL)2(N3)2](ClO4)2⋅2H2O (2) [where HL=3-(N,N-dimethylamino)propyliminomethyl-4-bromophenol] have been prepared and characterized. Manganese(IV) in each complex assumes distorted octahedral geometry. Structural features have been examined in detail that reveal the formation of interesting supramolecular networks generated through non-covalent forces including C−H⋅⋅⋅π and Br⋅⋅⋅Br interactions. These interactions have been studied energetically by means of theoretical DFT calculations using several computational tools, including Bader′s “atoms-in-molecules” (AIM) theory. Both complexes are found to show catechol oxidase and phenoxazinone synthase like activities.