Abstract
5-(2,3-Dimethyl-1-phenylpyrazol-5-one azo)-2-thioxo-4-thiazolidinone (HL) was synthesized and characterized using different spectroscopic techniques. The molecular structures of the ligand are optimized theoretically and the quantum chemical parameters are calculated. The proton–ligand dissociation constants of HL and its metal stability constants with Mn2+, Co2+, Ni2+ and Cu2+ have been determined potentiometrically. The potentiometric studies were carried out in 0.1M KCl and 10% (by volume) DMF–water mixture. At constant temperature the stability constants of the formed complexes decreases in the order Cu2+, Ni2+, Co2+ and Mn2+. The effect of temperature was studied at (298, 308 and 318K) and the corresponding thermodynamic parameters (ΔG, ΔH and ΔS) were derived and discussed. The dissociation process is non-spontaneous, endothermic and entropically unfavorable. The formation of the metal complexes has been found to be spontaneous, endothermic and entropically favorable
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