Synthesis and Characterization of Some New Metal Complexes With Bis[4-Phenyl-2-Dibutyl Aminomethyl-1,2,4- Triazole-3-Thion-5yl]methane and Theoretical Study

Abstract

A new Mannich base bis[4-phenyl-2-dibutyl aminomethyl-1,2,4-triazole-3-thion-5yl]methane , formed by the condensation of formaldehyde and appropriate dibutyl amine,with bis triazole ,and its complexes (Cu II ,Co II ,VO IV ,Pd II , Pt IV ( have been synthesized . Their structures have been elucidated on the basis of analytical, magnetic susceptibility, electrical conductivity and spectra study as well as metal analysis.Structural geometries of complexes were suggested in solid state and in gas phase by using theoretical treatments,using the hyperchem-6program for the molecular mechanics and semiempirical calculations.The heat of forma-tion(ΔHf o )and binding energy(ΔE b )for the free ligand and its metal complexes were calculated by PM3,ZINDOandAMBERmethods,PM3was used to evaluate the vibration spectra of Mannich base and to compare the theoretically calculated wave numbers with experimental values by using bis (4-phenyl-3-thio-1,2,4-triazole-5yl) methane as authentic compound. The theoretically obtained frequencies a greed calculation helped to assign unambiguously the most diagnostic bands. IntroductionThe biological activity of many aromatic triazoles and their derivatives especially of 3-thio-1,2,4-triazole is now fairly documented [1,2].These compounds were described with variety of pharmacological actions,as fungicidal ,bactericidal and hypoglycemic agents [1,3].In a previous work [4,5], the synthesis and characterization of Mannich bases derived from 2-thio-1,3,4-oxadiazole and 3-thio-1,2,4-triazole with different cyclic aliphatic amines were described along with a number of their transition metal complexes.The elements of medical important Pd,Pt, Cu,Co and Au offer the potential for design of novel therapeutic and diagnostic agents [6]. Recent reviews [6,7]cover the current states of metal therapeutic drugs,where a wide applications involving metal complexes ,which either used or close to being used clinically as antitumer drugs especially Platinium are scribed .Some drugs have increased activeity when administrated as metal complexes,this attributed to the synergetic effect between the metal and the ligand [8].The present paper describes the preparation of new Mannich base,in an attempt to introdu-ce the methylamine moiety