The molecule of (4 ′-phenyl)-1,2,4-triazol-1-ium-phenacylid (PTPhY) is studied in two types of ternary solutions. In the first category, the binary solvent contains two hydroxyl miscible liquids, and the second one contains one protic and one non-protic solvents. The potential energy in pairs of the type hydroxyl solvent-ylid is estimated in the frame of the statistical cell model of ternary solutions. From the viewpoint of interactions in the first ylid solvation shell, the statistical average weight of the active solvent differs from its molar fraction in the binary solvent.
Two 4-tolyl-1,2,4-triazol-1-ium methylids, namely 4-tolyl-1,2,4-triazol-1-ium-phenacylid and 4-tolyl-1,2,4-triazol-1-ium-4′-nitro-phenacylid, are studied from solvatochromic point of view in binary solvent mixtures of water with ethanol and water with methanol. The contributions (expressed in percent) of the universal and specific interactions are separated from the spectral shifts recorded in the visible range for each composition of the binary solvent mixture. The essential role of the orientation and induction interactions in the studied solutions was demonstrated. Based on the statistic cell model of the binary solvent mixture solutions, the difference between the formation energies of ylid-water and ylid-alcohol complexes is estimated. The composition of the ylid’s first solvation shell was also established using the model of the binary solvent mixture solutions. The results obtained from the statistical cell model were compared with those obtained by using the Suppan’s model, resulting a good agreement.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.