Trivalent Metal Complexes of Rich-Hyrdoxy Schiff base Ligand: Synthesis, Characterization, DFT Calculations and Antimicrobial Activity

• DOI: 10.17656/jzs.10911
• Publication Date: 2024-03-28T11:10:35Z
• Authors: Hanar Hassan; Karzan Abdalkarim; Dalia Abdul; Aso Hasan; Diary Tofiq; Rebaz Hamarawf; Shujahadeen Aziz; Kawan Kayani
• Keywords: Characterization

The design of trivalent metal complexes involves choosing suitable ligands that can bind to the and confer desired properties. In this study, novel (TVMCs) Ru, Fe, Cr were synthesized from a newly developed hydroxy-rich Schiff base ligand (LH2) derived 4,4'-oxydianiline with 2, 4-dihydroxybenzaldehyde, which is referred as N, N`-bis [ 2,4-dihydroxyphenyl-methylidene] (LH2). synthesis was performed using reflux without catalyst in ethanol. products underwent thorough characterization experimentally by various techniques such as: FT-IR, 1H-NMR, 13C-NMR, Powder XRD, elemental analysis, UV-Visible, conductivity, magnetic susceptibility, thermal gravimetric analysis. molar conductance measurements suggest are non-electrolytes do not contain conductive species outside coordination sphere. Thus they be formulated [MLCl(H2O)].nH2O. Magnetic moment electronic spectral studies confirmed all exhibit octahedral geometry around ion. Furthermore, density functional theory (DFT) calculations theoretically investigate structures, frontier molecular orbitals (HOMO LUMO), electrostatic potential (MEP), electron localization function (ELF) for complexes, utilizing Gaussian09 software B3LYP/6-311+G(d, p) level. vitro experiments conducted evaluate antibacterial activity compounds against both Gram-negative (Escherichia coli) Gram-positive (Staphylococcus aureus) bacterial species, agar diffusion method. results indicate Fe(III)-complex exhibits noteworthy inhibitory effects on bacteria, maximum inhibition zone.