| This thesis was contained two Schiff bases ligands: salicylaldehyde salicylhydrazone(H2Ll) and 2,4-dihydroxy-5-acetylacetophenone-iV-carbonylhydr-azone(H2L2) and their eighteen new model complexes of containing zinc(II), nickel(II), copper(II), collate(II) and manganese(II), which contain mononuclear complexes, binuclear complexes, and trinuclear complex.Elemental analysis, UV-vis, IR, EMS, 1H NMR, molar electroconductivity and x-ray single crystal diffraction measurements were used to characterize all the compounds. The full-optimized molecular geometries of the complexes were calculated at HF/3-21G, HF/6-31G(d) and B3LYP/6-31G levels with Gaussian 98W program. The electrochemical activities, superoxide dismutase activities, analytic characteristics and fluorescence activities of the Schiff bases ligands and its transition metal complexes have been studied.The crystal structure of Zn(Ll)(py)2 (complex7), [Ni(Ll)(py)3].(py)3 (complex8), Zn2(L1)2(2-Me-py)2 (complex10), [Zn3(L1)3(2-NH2-py)4]2-(DMF) (complex 11), Zn2(L2)2(py)4 (complex 17) and [Ni(L2)(py)3]-(py) (complex 18) (py=pyridine, 2-Me-py=2-methylpyridine, 2-NH2-py=2-aminopyridine, DMF=N,N-dimethylformamide) were determined by x-ray diffraction. These complexes are all neutral and exist Ci symmetry. The crystal data are as follow:The crystal structure of Zn(Ll)(py)2(complex7) has been determined in the monoclinic group, Pn, with a=1.09408(18)nm, b=0.88417(14)nm, c=1.16015(19) nm,B=101.350(2)°, V=1.1015(3)nm3, Z=2, Mr=477.81, Dc=1.442g/cm3, u(Mo-Ka) =1.149cm-1, F(000)=492, R=0.0311, wR=0.0818. The center zinc(II) is bonded to two oxygen atoms and one nitrogen atom from a tridentate ligand(H2Ll) and two nitrogen atoms from two solvent pyridine molecules to form a five-coordinate distorted trigonal bipyramid.The crystal structure of [Ni(Ll)(py)3].(py)3(complex8) has been determined in the monoclinic group, P21/n, with a=1.25579(10)nm, b=2.03993(17)nm,c=1.32756(11)nm,B=93.4930(10)°, V=3.3945(5)nm3, Z=4, Mr=666.38, Dc=1.304 g/cm3,u(Mo-Ka)=0.617cm-1, F(000)=1386, R=0.0584, wR=0.1623. The center Ni(II) is bonded to two oxygen atoms and one nitrogen atom from a tridentate ligand(H2L1) and three nitrogen atoms from three solvent pyridine molecules to form a six-coordinate distorted octahedron.The crystal structure of Zn2(Ll)2(2-Me-py)2(complex7) has been determined in the monoclinic group, P21/C, with a=1.14449(ll)nm, b=1.20669(12)nm, c=1.37939 (14)nm, ￡=97.039(2)°, V=1.8906(3)nm3, Z=2, Mr=825.47, Dc=1.450g/cm3, u(Mo-Ka)=1.324cm-1, F(000)=492, R=0.0311, wR=0.0818. The complex is bi-nuclear, and the central Zn(II) ions are five-coordinate in the form of two slightly distorted trigonal bipyramids.The crystal structure of [Zn3(L1)3(2-NH2-py)4]2.(DMF) (complex11) has been determined in the triclinic group, P1, with a=1.15359(9)nm, b=1.92734(15)nm, c=2.31772(19)nm, a=78.290(2)°, B=78.6930(10)°, y = 88.109(10)°, V=4.9478(7) nm3, Z=l, Mr=4462.38, Dc=1.498g/cm3, u(Mo-Ka)=1.506cm-1, F(000)=2288, R=0.0449, wR= 0.0731. The complex is a tri-nuclear Zn3(L1)2(2-NH2-py)4. Every two tri-nuclear complexes and a solvent DMF molecule compose a crystal unit. The structure of the two tri-nuclear complexes of the unit are similar but not the same.The crystal structure of Zn2(L2)2(py)4(complex17) has been determined in the monoclinic group, P21/c, with a=1.10898(ll)nm, b=1.64084(16)nm, c=1.44514(14) nm,B=108.617(2)°, V=2.4921(4)nm3, Z=2, Mr=1101.76, Dc=1.468g/cm3,u(Mo-Ka) =1.032cm-1, F(000)=1140, R=0.0457, wR=0.1111. The complex is bi-nuclear, and the central Zn(II) ions are six-coordinate in the form of two slightly distorted octahedrons.The crystal structure of [Ni(L2)(py)3].(py)(complexl8) has been determined in the monoclinic group, P21/c , with a=1.15244(8)nm, b=1.69679(12)nm, c=1.78341 (13)nm, B=102.2320(10)°, V=4.9478(7)nm3, Z=4, Mr=701.41, Dc=1.367g/cm3, u(Mo-Ka)=0.662cm-1, F(000)=1464, R=0.0464, wR=0.1242.The center Ni(II) is bonded to two oxygen atoms and one nitrogen atom from a tridentate ligand(H2L2)and three nitrogen atoms from three solvent pyridine mol...
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