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Abstract A new series of metal complexes of V(IV), Pd(II), Pt(IV), Ce(IV) and U(VI) with 3-[(3-Chloro-phenyl)-hydrazono]-pentane-2,4-dione (Cphpd) L1, V(IV), Zr(IV), Pd(II), Pt(IV), Ce(IV) and U(VI) with 2-Cyano-2-(p-tolyl-hydrazono)-thioacetamide (Cthta) L2, and V(IV), Zr(IV), Pd(II), Pt(IV), and U(VI) with 2-cyano-2-[(2-nitro-phenyl)-hydrazono]-thioacetamide (Cnphta) L3, were synthesized and isolated as solid complexes with a color characteristic of each metal ion. The complexes were identified and confirmed by elemental analysis, molar conductivity, magnetic moment measurements, UV-Vis., IR, 1H NMR and mass spectra as well as TG-DTG techniques. The results support the formation of the complexes and indicated that all ligands in these complexes react as bidentate through nitrogen atom of the hydrazono group (C=N) and oxygen atom of one keto group (C=O) of L1, the hydrazono nitrogen (NH) and thioacetamide nitrogen (NH2) or nitrogen atom of the hydrazono group(C=N) and nitrogen atom of cyano group(C N) for L2 and L3. The bond lengths and force constants, F(U=O), in the uranyl complexes were calculated according to known methods. The thermodynamic parameters such as activation energies, E*, enthalpies, ΔH*, entropies, ΔS* and Gibbs free energies, ΔG*, of the decomposition were calculated using Coats-Redfern (CR) and Horowitz-Metzeger (HM) methods. The bond lengths, bond angles, dipole moment and the lowest energy model structure of the complexes for L1 have been determined with DFT calculations. The antimicrobial activity of the synthesized ligands, metal salts and its complexes were screened and the results showed that the metal complexes were found to be more active than free ligands. |