Preparation and Structural Studies of new Metal Complexes with 2-N(4- N,N- dimethyl benzyliden ) 5 - (pmethoxy phenyl)- 1,3,4- thiodiazole

A new Schiff base, 2-N( 4- N,N – dimethyl benzyliden )5 – (p- methoxy phenyl) – 1,3,4- thiodiazol ,and their metal complexes Cu (Π) ,Ni (Π), Fe (III) , Pd (Π) , P t (IV) , Zn(Π) ,V(IV) and Co (Π) , were synthesized. T he prepared complexes were ident ified and their structural geometries were suggested by using flam atomic absorption technique , FT-IR and Uv-Vis spect roscopy, in addition to magnetic susceptibility and conductivit y measurements. T he study of the nature of the complexes formed in ethanol solution , following the mole ratio method , gave results which were compared successfully with those obtained from the isolated solid state studied. Structural geometries of compounds were also suggested in gas phase by using theoretical treatments , using HyperChem-6 program for the molecular mechanics and semi- empirical calculations. T he heat of formation (ΔHƒ °) and binding energy (ΔEb) for the free ligand and their metal complexes were calculated by PM3 and AMBER met hods, P M3 was used to evaluate t he vibrat ion spect ra of schiff base and to compare the theoretically calculated wave numbers with exprimental values by using 2- amino- 5 (p- methoxy phenyl)-1,3,4- thiodiazole as authentic compound. T he theoretically obtained frequencies agreed calculation helped to assign unambiguously the most diagnostic bands.