Browsing by Author "Golea, Lynda"

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    Synthesis, Structural Characterization, and Biological Activity Study of New Cobalt (II) Complexes and Organometallic Materials
    (2026) Golea, Lynda
    In this dissertation, we conducted an in-depth study on metal-organic complexes based on N-heterocyclic and carboxylic acid ligands. We detailed the types of non-covalent bonds and their roles in the stabilization and formation of supramolecular architectures in solid-state materials. In this case, we synthesized three new metal complexes based on 1,10 phenanthroline as an organic ligand with different transition metals. We analyzed and determined the molecular structures of these coordinated compounds by single-crystal X-ray diffraction. We have thus demonstrated these structures using spectroscopic methods such as FT-IR and UV-visible. We next performed a theoretical study to identify intermolecular interactions through Hirshfeld surface, optimize geometries, and discuss electronic, chemical, and physical properties using density functional theory (DFT) and other computational methods, including ELF, LOL, MEP, and RGD. Finally, we demonstrated the antibacterial and antioxidant activity of these compounds, enabling us to deduce their biological importance. Additionally, through molecular docking theory, we predicted and understood the binding modes and interaction mechanisms of these metal complexes with potential biological targets.