Background. The problem of creating new drugs recently has acquired a significant relevance. One of the areas in the search for new drugs is the synthesis of biologically active substances 1,2,4-triazole derivatives, including well-proven highly effective tranquilizers, antifungal, antiviral, anticancer and other drugs.
The aim of research. The evidence based on the relationship between the structure and the spectral characteristics of 1,2,4-triazole derivatives is absolutely essential to further research of their UV spectra, a detailed study of the electronic structure of the synthesized compounds and depending on the nature of the establishment of the UV spectra of the structure.
Materials and methods. For studying the nature of the UV spectra of 5-(((5-adamantane-1-yl)- 4-phenyl-4H-1,2,4-triazole-3-yl)thio)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol were used the solvents with different polarity: water, 95 % etanol 0.1 M solution of acid chloride, acid sulphate, sodium hydroxide, n-hexane.
Results. The molecule of 5-(((5-adamantane-1-yl)-4-phenyl-4H-1,2,4-triazole-3-yl)thio)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol consists of two 1,2,4-triazole cycles interconnected by thiomethyl group. In position of 4 triazole cycles are phenyl radicals. UV spectra of the studied compounds are characterized by two absorption bands with maxima in the redistribution of 200–222 nm and 254–286 nm.
Conclusion. Based on the nature of the observed UV spectra and polar solvent must be concluded that the absorption band at 200–222 nm is due to the prohibited π→πx junctions benzene rings transitions is 1La-stripe. Taking into account the contribution of the increments in the parental chromator of 1,2,4-triazole we must conclude that the absorption band in the range of 254-286 nm is the result of the 1Lb-stripe imposition on the π→πx-transitions of the molecules of 1,2,4-triazole.