Abstract

This study presents the synthesis, structural characterization, and biological assessment of a novel bis(N,N’-bis(benzylidene)-2-pyridinecarbohydrazide) molybdenum(VI) complex. The complex was synthesized via Schiff base condensation and characterized by FT-IR, UVVis, NMR, ESI-MS, and single-crystal X-ray diffraction. Computational studies, including molecular electrostatic potential (MEP), TD-DFT UV-Vis absorption, and HOMO-LUMO analysis, provided insights into electronic properties. Molecular docking, antimicrobial screening, and antioxidant assays revealed the potential pharmaceutical applications of the complex.

Keywords

Schiff base, Mo(VI) complex, F T-IR, UV-Vis, XRD, TGA, conductivity, MEP, octahedral geometry