Synthesis, Spectral and Quantum Chemical Calculations of Mononuclear Nickel(II), Copper(II) and Cadmium(II) Complexes of New Schiff–Base Ligand

摘要

The complexes of type [Ni(L)2(H2O)2]2H2O, [Cu(L)2(H2O)2], and [Cd-(L)2(H2O)2]H2O, where L =salicylidenehlorophenylminothiazole, have been synthesized by condensation ofsalicylaldehyde and 4hlorophenylminothiazole (2:1) in the presence of divalent metal salt inmethanolic medium. The ligand and its metal complexes have been characterized with the help of1 13 elemental analysis, IR, MS, UVis, H and C NMR, ESR, XRD, CV, thermal analysis, magneticsusceptibility and molar conductance measurements. From the modeling studies, the bond length, bondangle, core-core interaction, heat of formation, electronic energy, binding energy, HOMO, LUMO anddipole moment had been calculated to confirm the geometry of the ligand and their investigatedcomplexes. The antimicrobial results indicate that the cadmium complex exhibit more activity than thenickel (II) and copper (II) complexes.