INVESTIGATES THE SPECTROSCOPY, THERMODYNAMICS PROPERTIES AND FUKUI FUNCTIONAL ANALYSIS OF PHOSPHONATE DERIVATIVE

This study investigates the spectroscopic thermodynamic properties and Fukui function analysis of a newly synthesized phosphonate derivative. Using Nuclear Magnetic Resonance (NMR) Infrared (IR) spectroscopy and Ultraviolet-Visible (UV-Vis) spectroscopy we elucidate the structural and electronic characteristics of the compound. Computational methods including Density Functional Theory (DFT) were employed to calculate thermodynamic properties such as enthalpy entropy and Gibbs free energy. Additionally Fukui function analysis was performed to assess the reactivity and selectivity of the molecule. The combined experimental and theoretical approaches provide a comprehensive understanding of the phosphonate derivative highlighting its potential applications in material science and pharmaceutical.