Cr(III) and Ni(II) complexes of isatin-hydrazone ligand: preparation, characterization, DFT studies, biological activity, and ion-flotation separation of Ni(II)

In the current work, a ligand N'1-((E)-2-hydroxy-3H-indol-3-ylidene)-N'3-((E)-2-oxoindolin-3-ylidene)malonohydrazide (H4MDI) and its chelates [Cr2(H2MDI)(H2O)2Cl4] [Ni2(MDI)(H2O)6].4H2O have been isolated characterized using different physico?chemical methods, as infrared (IR), thermogravimetric analysis (TGA) differential thermogravimetry (DTG) in solid state, 1H?NMR, 13C?NMR UV/visible solution. For evaluating geometries for synthesized complexes, calculations were performed Gaussian 9 program with density functional theory (DFT). Magnetic measurements proposed that both Cr(III) Ni(II) octahedron coordination frameworks. On other hand, IR spectral data revealed behaves binegtive hexadentate tetranegative [Ni2(MDI)(H2O)6].4H2O. The molecular modeling was done, illustrated bond lengths, angles, electrostatic potential, chemical reactivity inspected compounds. addition, behavior of thermal decomposition prepared complexes discussed. Two comparable methods (Coats-Redfern Horowitz-Metzger) used to calculate kinetic parameters resulted stages. Furthermore, ion-flotation process separation from aqueous media via chelating agent oleic acid surfactant. Moreover, antimicrobial moieties investigated against various bacterial fungal strains. H4MDI has most pronounced activity minimum inhibitory concentration (MIC) 0.78 µg/mL E. coli, C. Albicans, while complex shows S. aureus, Albicans MIC 3.42, 6.84, 1.71 µmol/L, respectively. Finally, in-vitro cytotoxic compounds human hepatocellular carcinoma cells (HePG-2) examined, obtained results show an average HePG-2 IC50 9.7 7.7 respectively compared 5-flurouracil (applied standard drug) = 7.9 µmol/L.