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

Abstract

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, 1 HNMR, 13 CNMR, 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 nanosized 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.

Characterization and thermal studies of nano‐synthesized Mn(II), Co(II), Ni(II) and Cu(II) complexes with adipohydrazone ligand as new promising antimicrobial and antitumor agents

“…The size of particle or crystallite size was calculated from XRD patterns by applying the Scherrer equation . It is a formula that relates the size of sub‐micrometre particles, or crystallites, in a solid to the broadening of a peak in a diffraction pattern, in X‐ray diffraction and crystallography . This equation is used to determine the size of particles of crystals in the form of powder.…”

Synthesis, spectroscopic characterization, x‐ray crystal structures, thermal behavior and antimicrobial activity of copper(II) complexes with the novel (3,5‐dimethyl‐1H‐pyrazol‐1‐yl)(morpholin‐4‐yl)methanethione

“…The last degradation step indicated by two broad DTG peaks (T max = 491 and 590 °C) and by weight loss of 18.46% due to removal of C 5 H 7 N portion. The pyrolytic behavior of complex ( 1 ) refers that the thermal pyrolysis started fast and proceeded by slow reaction to give 14.48% of Cu as the final residue . The proposed mechanism for thermal degradation of complex ( 1 ) is showed in Scheme .…”

Density functional theory/B3LYP study of nanometric 4‐(2,4‐dihydroxy‐5‐formylphen‐1‐ylazo)‐N‐(4‐methylpyrimidin‐2‐yl)benzenesulfonamide complexes: Quantitative structure–activity relationship, docking, spectral and biological investigations

“…Based on the above considerations and in continuation of our research works, the present paper reports the synthesis and characterization of a novel series of bioactive nano‐sized and transition metal complexes with 4‐(2,4‐dihydroxy‐5‐formylphen‐1‐ylazo)‐ N ‐(4‐methylpyrimidin‐2‐yl)benzenesulfonamide (H 2 L). The choice of azo compounds leads to a detailed spectral study as well as theoretical aspects.…”