Elaborated studies on nano-sized homo-binuclear Mn(II), Fe(III), Co(II), Ni(II), and Cu(II) complexes derived from N2O2 Schiff base, thermal, molecular modeling, drug-likeness, and spectral

摘要

A series of new homo-binuclear nano Mn(II), Fe(III), Co(II), Ni(II), and Cu(II) complexes were synthesized using a Schiff base ligand derived by condensation of p-phenylenediamine with 2-hydroxy-1-naphthaldehyde. The prepared complexes were characterized using elemental, thermal analyses, FTIR, (HNMR)-H-1, (CNMR)-C-13, UV-Vis, XRD, SEM, molar conductance, and magnetic moment measurements. FTIR spectral studies revealed the interaction of the ligand as bi-negative tetra-dentate towards Mn(II) and Fe(III) atoms, whereas the ligand molecule coordinates in neutral tetra-dentate mode towards Co(II), Ni(II), and Cu(II) ions. The geometries proposed are mainly octahedral configuration surrounds the central atoms referring to the electronic spectral data and magnetic measurements. The calculations abstracted from XRD patterns propose the nano-sized complexes. The SEM images show the nano-sized appearance of the particles except for the Ni(II)-complex. Thermo-gravimetric analysis was used to ensure the nature of the presence of solvent molecules attaching to the complexes. Molecular modeling was performed to assert the structural formula proposed for the ligand and some of its complexes. Also, drug-likeness was theoretically estimated to display the probable biological activity of the free ligand through a theoretical comparison with known drugs.