Synthesis, Characterizations And Properties Of Pyrimidine And Thioamide Derivatives

In this study, three pyrimidine derivatives ligands were synthesized. These compounds were characterized by EA, UV, IR and 1HNMR. Two series of new complexes were achieved in the experiment, And some of them were characterized by EA, IR and UV. The thesis obtained the crystal structures of complexes [Zn(mdpp)(H2O)2SO4]·H2O (3-2), [ZnCl(adppha)]·DMF(3a)and[Cd(adppha)2] (3i) , [mdpp=2-methyl-4,6-di(pyridin-2-yl)pyrimidine;adppha=(Z)-3-amino-2-(4,6-di-(pyridin-2-yl)pyrimidin-2-yl)-3-hydroxyacrylonitrile].The crystal structures were studied by Mercury soft-ware. The datas shown that these complexes were self-assembled to form some 1D, 2D or 3D structures by supramolecular interactions such as hydrogen bond,π···πand X-H···Cg stacking. In order to provide helpful theortical information for the further studies on these Crystal compounds, density functional theory (DFT) method calculations of the structure, harmonic vibration, electronic spectra and The thermodynamic properties have been performed at B3LYP/6-311G** level. In the experiment, the thesis studied the thermal stability of complexes (3-2), (3a) and (3i). The thesis explored the electrochemical properties and fluorescence emission spectra of compounds and complexes, and found that most of them had strong fluorescence emission. The complex(3l) was amost no of fluorescence, probably because the coppe ion caused the ligand fluorescence quenching.Three thioamide derivatives ligands synthesized by Ultrasonic wave were characterized by EA, UV, IR and 1H NMR. The crystal structures of compound (4a) was obtained. The density functional theory (DFT) method calculations of the structure, harmonic vibration, electronic spectra and The thermodynamic properties have been performed at B3LYP/6-311G** level. In addition, the fluorescence emission spectra and electrochemical properties of compounds (4a-4c) had also been studied preliminarily in the experiment.