Synthesis,experimental and theoretical characterization,and antimicrobial studies of some Fe(II), Co(II), and Ni(II) complexes of 2-(4,6-dihydroxypyrimidin-2-ylamino)naphthalene-1,4-dione

The work reported the synthesis and characterisation of Fe²⁺, Co²⁺, and Ni²⁺ complexes of 2-(4,6-dihydroxypyrimidin-2-ylamino)naphthalene-1,4-dione (HL). The spectroscopic and elemental analysis results obtained were consistent with the adoption of the formulas, ML₂] (M = Fe and Co) and ML₂(H₂O)] (M = Ni) for the metal complexes. Electronic spectra and magnetic moments of the metal complexes corroborated octahedral geometry for Ni(II) complex and tetrahedral geometry for Fe(II) and Co(II) complexes. However, quantum-chemical calculations using density functional theory predicted trigonal bipyramidal geometry for Ni(II) complex and provided corroborative explanations for the structures of the other complexes. Conductance measurements in dimethylsulfoxide indicate that the complexes are non-electrolytes. The antimicrobial potential of the compounds was evaluated against Staphylococcus aureus, Pseudomonas aeruginosa, Escherichia coli, Bacillus cereus, Proteus mirabilis, Klebsiella oxytoca, Aspergillus niger, A. flavus, and Rhizopus stolonifer. The compounds gave moderate to good antimicrobial activity. However, the bacterial and fungal organisms were more susceptible to the cobalt complex and ligand respectively than the other compounds at concentration of 10 mg/mL. The compounds were also assessed for their antioxidant potential using 1, 1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging assay. The compounds displayed good DPPH radical scavenging activities. The nickel complex exhibited the best DPPH radical scavenging activity compared to the other compounds.