| 1. This thesis reports four Schiff base ligands: 5-bromosalicylaldehyde pyridylhy drazone (H2L1 viz. C13H10N3O2Br), phenyl 2-picolinamidobenzoate (HL2 viz. C19H14N2O3), (E)-2-(4-oxopentan-2-ylideneamino)benzoic acid (HL3 viz. C12H13NO3 ), and oxalaldehydesalicylhydrazone (HL4 viz. C16H14N4O4), respectively. And we have obtained eighteen coordination compounds of their Ni(II), Cu(II), Cd(II), Mn(II) and Zn(II) complexes and six single crystals.2. All of the compounds above have been characterized by elemental analysis, infrared spectrum, ultraviolet spectroscope, molar conductivity, the thermo-gravimetric (TG) analysis and X-single crystal diffraction. The ligands were identified by hydrogen nulcear magnetic resonance and mass spectrum additionally. The full-optimized molecular geometries of the complexes were calculated at B3LYP/6-31G,MPW1PW91/6-31G and HF/6-31G levels with Gaussian03W program.3. The crystal structures of C19H14N2O3, C16H14N4O4·2DMSO, [Cu(L3) (H2O)]·H2O (10),[Mn(L3)2(py)2(H2O)2](16),[Zn(L3)2(py)2(H2O)2](17),[Cd2(C20H10N2O2Br4)2(DMF)2] (18) (py=pyridine, DMF=N,N'-dimethylformamide, DMSO=dimethylsulfoxide) have been determined by X-ray diffraction. These complexes are all neutral, the crystal analysis as follows:In the title compound, C19H14N2O3, belongs to triclinic crystal system with space group P-1, and the molecules are linked by C-H…O hydrogen bonds, forming R210dimers which are arranged parallel to the a axis. The crystal structure of C16H14N4O4·2DMSO belongs to triclinic crystal system with space group P-1, which are connected to 3D framework structure by hydrogen bonds andπ-πinteractions. The crystal structures of [Mn(L3)2(py)2(H2O)2](16) and [Zn(L3)2(py)2(H2O)2](17) belong to monoclinic crystal system with space group P21/n; both are single nucleus and octahedron configuration; all are nearly same, such as ligand, coordinated way and ligand atoms, but hydrogen bonds of the latter are less than the former, the former are connected to 3D framework structure and the latter are connected to 2D plane by hydrogen bonds. But the crystal structure of [Cu(L3)(H2O)]·H2O(10) belongs to Orthorhombic crystal system with space group Pbca, and single nuclear triangle configuration, which are connected to 2D plane structure by hydrogen bonds. The crystal structure of [Cd2(C20H10N2O2Br4)2(DMF)2](18) belongs to triclinic crystal system with space group P-1,and is octahedrally linked by oxygen atom. But there are no intramolecular hydrogen bonds. 4. Character research: the electrochemical activities of copper and manganese complexes has been studied; Epoxidation of styrene catalyzed by some manganese complexes of the three ligands as model compounds of oxygenase has been studied; HL3, their zinc and cadmium complexes has been studied...
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