89573-81-9Relevant articles and documents
Solution and molecular modeling studies on some bivalent metal complexes of higher analogues of biologically active 1,3-diaryl-4, 5, 6-pyrimidinetrione-2-thioxo-5-oxime
Sharma,Swaika,Mittal,Sharma,Sindhwani
, p. 1076 - 1081 (2007/10/03)
Thermodynamic proton-ligand stability constants of 1,3-diethylphenyl-4,5,6- pyrimidinetrione-2-thioxo-5-oxime (and the thermodynamic metal ligand stability constants) with some bivalent metal ions were determined by potentiometric measurements in 75% (v/v) aqueous-dioxan medium at different temperatures ranging from 25°C to 35°C. The acidity and stability constants vary according to the kind of substitution at the 1- and 3- positions of the pyrimidine ring. The order of stability constants is UO22+> Cu2+>Ni2+>Co2+>Zn2+ >Cd2+>Mn2+>Mg2+. The values of Smin (χ2)have also been calculated.. The thermodynamic functions for the stepwise complexation processes are calculated at 25±0.5°C. Molecular modeling studies have also been carried out on the ligand and complexes, the results of which corroborate the experimental findings.