الفهرس | Only 14 pages are availabe for public view |
Abstract The thesis comprises of five chapter : Chapter 1: includes the introduction and a literature survery on the azo rhodanines and their complexes. Chapter 2: concerned with the experimental work. The following ligands (HLn) were prepared: HL1: 4-hydroxy-5-(4-methoxyphenylazo)thiazole -2(3H)-thione HL2: 4-hydroxy-5-(phenylazo) thiazole -2(3H)-thione HL3: 4-hydroxy-5-(4-nitrophenylazo)thiazole -2(3H)-thione HL4: 4-hydroxy-5-( phenylazo) thioxothiazol -3(2H)-benzenesulfonamide. The cu(II) complexes (1-3) were prepared from the reaction of these ligands(HLn) with cucl. 2h2o in ethanolic solution and the formed complexes . the synthesized ligands and complexes were investigated by elemental analysis, molar conductivity measurements , magnetic measurements , spectral studies and thermal studies (TGA). Molecular structure and molecular docking of the ligands(HLn) . Chapter 3: copper (II) complexes of azo rhodanines (1-3) were prepared and characterized by elemental analyses, IR spectra, x-ray diffraction, thermo gravimetric analysis (TGA) molar conductance and magnetic susceptibilities as well as mass spectra. The IR spectra showed that the ligands acts as a monobasic bidentate coordinating via nitrogen atom of-N=N- group and oxygen atom of enol form. The x-ray diffraction pattern of complex(2) is polycrystalline phase. Quantum chemical parameters and geometric structural of the complexes were theoretically computed by HF method with 3-21G basis set, and the results were studied. Chapter 4: molecular docking was used to predict the binding between azo rhodanine derivatives (HLn) with the receptor of 2Q7K receptor of breast cancer. The values of binding constant (ki) of azo rhodanines (HL)AND METAL-LIGAND STABILITY CONSTANTS OF THEIR COMPLEXESWITH METAL IONS |