الفهرس 
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Abstract
A novel semicarbazone ligand was synthesized and reacted with several metal ions including copper(II), manganese (II), cobalt(II), nickel(II), zinc(II), cadmium(II), chromium(III), iron(III), oxovanadium(IV) and dioxouranium(VI). The ligand behaves as dianionic O2N tridentate forming chelates with molar ratio 1:1 (M:L). The metal complexes were fully characterized by analytical and spectral techniques. The metal complexes exhibited octahedral and pentagonal bipyramidal geometrical arrangements. The absorption and emission fluorescence spectra for some metal complexes were investigated in nine organic solvents with different polarities, viz., dielectric constant (ε) and refractive index (n). The ground state and excited state dipole moments (µg and µe) of these metal complexes are experimentally determined by solvatochromic methodolgy. Moreover, the current metal complexes were optimized through a denisty function theory (DFT) at B3LYP/GENECP method at 6-311G(d,p) basis set for C, H, N and O atoms and SDD (Stuttgart/Dresden) basis set for the metal atoms. Molecular electrostatic potential (MEP) maps, natural charge by Mulliken population analysis (MPA) and natural population analysis (NPA) analysis were conducted and discussed. The ligand and its metal complexes showed variable antimicrobial activity towards Gram–positive bacteria, Gram–negative bacteria, yeast and fungus. Also, the antitumor activity of the ligand and its metal complexes was investigated against HepG-2 cell line. All newly synthesized complexes were subjected to molecular docking showing distinguishable results towards VEGFR-2 inhibitors.