The full optimized molecular geometries of 2,4 dihydroxybenzaldehyde thiocarbohydrazone(H2L) and its comp lexes ML(M=Cu?, Zn? and Ni?) were calculated at HF/3 21G, HF/6 31G(d) and B3LYP/6 31G level with Gaussian 98W program. The geometries of the full optimized for them are all Cs symmetry. Thetheoretical analyses of some of their properties such as bond energy,coordination and biological activity were also made. The biological activity effect is CuL>ZnL >NiL >H2L, which agrees well with the experimental result.
Salicylaldehyde O,O dimethyl phosphoramidothioic and their complexes of copper(Ⅱ),nicke(Ⅱ) and Zinc(Ⅱ) were synthesized and characterized by elemental analysis,electronic absorption spectrum,IR and molar conductivity.The schiffbase ligand was further ascertained by 1HNMR spectra.The composition coordination state and possible structures in these compounds were given.The tests of biological activity showed that synthesized complexes have scavenging effect on superoxide free radical similar SOD enzyme and these compounds are effective chemicals to kill tetranychus bimaculatus.
