Synthesis, Structure Determination and 3D Molecular Modeling Of Some Novel Manganese(II) Complexes

Some novel manganese(H) complexes with the ligand (z)-4((2-hydroxy-4-methoxyphenyl)diazenyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, MPAAP, 3-methoxy phenol azoantipyrine, L-1, having the formulae [Mn(L-1)(2)(X)(2)], [Mn(L-1)(2)(Y)(2)], where X = Cl- / Br-; Y = NCS- were synthesized and characterized by elemental analysis, molar conductance and magnetic susceptibility measurements, spectral. (UV- Visible, EPR, FAB mass) studies, thermogravimetric analysis, powder XRD and cyclic voltammetric studies and by SEM image. An octahedral structure is tentatively proposed for the complexes with respect to the above studies. The [Mn(L-1)(2)(Y)(2)] was subjected to gamma-ray irradiation and the internal changes accompanied were evaluated. The energy minimized configuration of the complex [Mn(L-1)(2)(Cl)(2)] was made with CHEM Bio 3D Ultra 11.0 and the respective parameters are computed. The hand and its complex [(Mn(L-1)(2)(Y)(2)] were screened for their possible antimicrobial activities.