Synthesis, Characterization On Several Kinds Complexes And Strcture, Bioactivity, Quantum Chemical Investigation On Some Of Them

Seven schitThases (1~ -17) of 5-amino-1H-1 ,2,4-triazole-3-carboxylic acid have been s~ rfthesized and characterized.Using designed nine experiments of three-element-three-lever disco' er the best conditions of this reaction as 12 and the yield can increase to 64.6% t'~ ent~ -eight complexes of the schiftbases with Co( II ).Ni( II ).Cu( II ).Zn( 11) have been s' sthesized and charactized. The activities as plant growth regulators of compounds (11-17) and the tv~ent~-eight complexes are determined by lab-bioassay. The results show that cOmpounds (It~ha~.e fine plant growth activity and that the complexes I6Co; I6Ni. I6Zn.I7Co. I7Ni have fine antibacterial activities.which are much more excellent than that of schiffbase Iigands. Interaction het~'.een schiftbase (1~-1-) molecules are studied with their optimal equilibrium geometries and electronic by the MNDO procedure. The more obvious alternating polarizability of compounds have the more excellent bioactivities.Bismu~h(l1I).Nickel( II ).Tin( II) complexes with N,N-iminodiethanoldithiocarbamato have been s\ nthesized and the single crystal structure of them is characterized. Lab-experiments show that the antibacterial activity of the complex are superior to that of the ligands.Complexes [Cu(NA )2(H20)41(pic)2. [Zn(NA )2(H20)4] (pic)2. Ni[H2NC(CH2OH)3]2 (H20)2 c . CufH2NC(CH~OH);]'(H2O)2 (Pic)~ and Composite-Organic-compound NAH Pichave been synthesized and characterized by elemental analysis and IR spectroscopy. The supramole structure of them are determined by single crystal diffraction analysis. The interaction of intromolecules of them(especially, the hydrogen bonds interaction.) are discussed. The neato charee of the complexes(.~iY~??1 by every atomic in QCT method using STO-3G basis set is calculated.A supramole complexe [CuCl4]~[H3N-(CH2)2-COOH]2~ have been synthesized ando characterized. The structure is a unique three-dimensional spring-mattress-form supramolecular architecture assembled via novel Cl-bridge and hydrogen bonds.