Abstract
• Electronic spectra are measured for investigating compounds and the optical band gap are calculated. • The Wemple Di-Domenico single oscillator model was utitlized to obtain the oscillator and dispersion-energy. • The electrical conductivity in solid state at different temperatures and frequencies of compounds are carried out and their semiconductor behavior is interpreted. • Studying the thermal behavior of compounds by thermal analysis (TGA, DTA and DSC) and calculation of thermodynamic parameters. Solid state studies for barbituric acid, barbital, thiouracil, and their complexes were done to investigate the conduction mechanism and thermal stabilities of these compounds. Metal complexes were characterized by IR spectra, ESR for copper complex and XRD for nickel complex. The UV-Vis spectra were obtained and the optical bandgap was calculated. The alternating current (AC) electrical measurements for ligands and their metal complexes were carried out as a function of temperature from room temperature up to 400 K and at frequencies in the range from 120 Hz up to 10 5 Hz. An increase in the AC conductivity with the temperature was observed. This is probably due to hopping processes in the gap and is confirmed by the increase of the relative dielectric constant with temperature increase. The thermal behavior of pyrimidine ligands and their metal complexes were assessed by TGA, DTA, and DSC techniques. The kinetics and thermodynamic parameters were calculated from thermolysis data.
Published Version
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