Sharif Digital Repository

CdS nanocrystals were thermochemically (thermally activated) synthesized thorough the reaction between CdSO4 and Na2S 2O3 in an aqueous solution. Thioglycolic Acid (TGA) was used as the capping agent and catalyst of the reaction. The method was based on heat activated dissociation of Na2S2O3 and controllable release of S and free electrons in the solution. CdS NCs were formed by heating the sample solution at 96 C for 1 h. The results of optical spectroscopy and transmission electron microscopy demonstrated round shape NCs with sizes about 3.0 nm. The nanocrystals were also luminescent and represented a broad emission with a peak located at 515 nm and FWHM of 160 nm. Several samples were... 

Polyols were used as model ligands for Mg2+, Ca2+, and Zn2+ complexes to study the role of the hydrogen bond network on the metal binding affinity and modulation of successive pKa values using density functional theory. The results confirm that the acidity of polyols dramatically increases upon metal complexation in the order Zn2+ > Mg2+ > Ca2+. For example, the three H-site positions in the hydroxyl groups of the heptaol, bound to Zn2+, are 11.2, 29.9, and 30.9 pKa units (in methanol) more acidic than those of pure heptaol. This acidity enhancement leads to making polyols as good ligands toward complexation. For instance, the formation constants of the heptaol in the presence of Zn2+, Mg2+,...