Bivalent transition metal complexes of (E)-3-(2-benzylidenehydrazinyl)-3-oxo-N-(p-tolyl)propanamide: Spectroscopic, computational, biological activity studies

• Schiff base complexes.
• Spectroscopic characterization.
• DFT studies.
• Biological activity.

Schiff base complexes of Co(II), Ni(II) and Cu(II) with (E)-3-(2-benzylidenehydrazinyl)-3-oxo-N-(p-tolyl)propanamide (H2BHAH) containing N and O donor sites were synthesized. Both ligand and its metal complexes were characterized by elemental analysis, thermal analysis (TG and DTG), spectroscopy (1H NMR, IR, UV–visible, MS spectra), and physical measurements (magnetic susceptibility and molar conductance). The kinetic and thermodynamic parameters of the different decomposition steps of some complexes were calculated using the Coats–Redfern and Horowitz–Metzger methods. Also, the DFT studying was evaluated to confirm the geometry of the investigated compounds. Moreover, the association and formation constants of Ni(II) and Cu(II) ions in mixed solvent at 290.15 K were calculated by using electrical conductance. The antimicrobial activities of the ligand and its complexes were studied against gram positive bacteria Staphylococcus aureus, gram negative bacteria; Escherichia coli and pathogenic fungi; Candida albicans by using minimum inhibition concentrations method. The antioxidant (ABTS-derived free radical method) and cytotoxic (in vitro Ehrlich Ascites) activities of the isolated compounds were estimated.

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