biostudies-literatureUnknown9(8)Alkhatib FMSchiff bases ligand (<b>HL</b>) was produced by condensing 4-aminobenzohydrazide with N-(4-chlorophenyl)-2-(4-formylphenoxy)acetamide. Cobalt (II), nickel (II), and copper (II) acetate and ligand are reacted to form 1:1 complexes. By using electronic spectra, magnetic susceptibility measurements, infrared data from ¹H NMR, and XRD studies, the ligand and its metal complexes have been characterized. According to the spectrum data, the ligand functions as a monobasic bidentate, coordinating with the nitrogen atom of azomethine (-C[bond, double bond]N-) group and the oxygen atom of carbonyl group in enol form. An octahedral structure has been proposed for Co(II), Ni(II), and Cu(II) complexes according to magnetic and electronic spectrum analysis. Using the DFT method, the computatiHeliyone18988https://www.ebi.ac.uk/biostudies/studies/S-EPMC10447992biostudies-literatureSynthesis, characterization, DFT calculations and biological activity of new Schiff base complexes.PMC10447992Alkhatib FMAlsulami HMfalseSynthesis, characterization, DFT calculations and biological activity of new Schiff base complexes.Schiff bases ligand (<b>HL</b>) was produced by condensing 4-aminobenzohydrazide with N-(4-chlorophenyl)-2-(4-formylphenoxy)acetamide. Cobalt (II), nickel (II), and copper (II) acetate and ligand are reacted to form 1:1 complexes. By using electronic spectra, magnetic susceptibility measurements, infrared data from ¹H NMR, and XRD studies, the ligand and its metal complexes have been characterized. According to the spectrum data, the ligand functions as a monobasic bidentate, coordinating with the nitrogen atom of azomethine (-C[bond, double bond]N-) group and the oxygen atom of carbonyl group in enol form. An octahedral structure has been proposed for Co(II), Ni(II), and Cu(II) complexes according to magnetic and electronic spectrum analysis. Using the DFT method, the computati2023-01-01T00:00:00Z2023 Aug2026-05-28T18:44:24.71Z2025-02-18T23:55:55.044ZS-EPMC104479923763636610.1016/j.heliyon.2023.e18988