Synthesis, Structural Characterization, and Biological Activity Study of New Cobalt (II) Complexes and Organometallic Materials
No Thumbnail Available
Date
2026
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
Abstract
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.