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Title: 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
Authors: Sharma, Parvesh
Swaika, Bablu
Mittal, Sachin
Sharma, R K
Sindhwani, S K
Issue Date: Oct-2001
Publisher: NISCAIR-CSIR, India
Abstract: 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 Smin2) have also been calculated. The thermodynamic functions for the stepwise complexation processes are calculated at 25±0.5oC. Molecular modeling studies have also been carried out on the ligand and complexes, the results of which corroborate the experimental findings.
Page(s): 1076-1081
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections:IJC-A Vol.40A(10) [October 2001]

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