Synthesis, Spectroscopic studies and Theoretical Treatment of Zn(II),Cd(II) and Hg(II) complexes of 1,3-Bis (4,5-diphenyl imidazole azo) benzene (BABI)

Abstract

A new chelate complexes of Zn(II),Cd(II) and Hg(II), have been prepared byreacting these ions with the ligand 1,3-Bis (4,5-diphenyl imidazole azo) benzene(BABI),The preparation of the complexes have been conducted after fixingthe optimum conditions such as pH and concentration .UV- visible spectra ofthese complexes solution have been studied for a range of pH and concentrationwhich obey Lampert-Beers Law .The structure of complexes are deducedaccording to mole ratio method which were obtained from the spectroscopicstudies of the complexes solution .The ratios of metal: ligand obtained are (1:1)for these complexes . (UV-Vis) absorption spectra of ethanolic solution ofcomplexes showed bathchromic shift , as compared with that of free ligand .Theinfrared spectra of the chelating complexes have been studied , Depending onthese results the coordination between our ligand and the metal ions take place.The conductivity measurements , elemental analysis ,the percentage of metalions was determined .Depending on these results ,we may conclude that theligand was tetradentate . Also the proposed geometrical structure of thecomplexes of Zn(II),Cd(II) and Hg(II) ions are octahedral. .Semi-empiricalmethods (ZINDO/1, PM3 and ZINDO/S) were carried out by using hyperchem.program to evaluate heat of formation ΔH˚f, binding energy ΔEb, dipolemoment, for all complexes , also the vibration frequencies, and electronictransitions was calculated for prepared ligand(BABI)..