Solvatochromism studies on UV spectra of 4,5-disubstituted-1,2,4-triazoline-3-thiones
DOI:
https://doi.org/10.20450/mjcce.2012.60Keywords:
1, 2, 4-triazoline-3-thiones, UV spectra, solvent effects, LSER conceptAbstract
The influence of a series of organic solvents on the UV spectra of investigated 1,2,4-triazoles, was studied by implementing solvatochromic theory. As a part of our efforts to interpret the effects of solvent polarity and hydrogen bonding on the absorption spectra of previously synthesized 1,2,4-triazoline-3-thiones, the study design was based on the linear solvation energy relationship (LSER) concept using Kamlet-Taft solvatochromic parameters: π*, α and β. Accordingly, by dividing the solvents into two groups (protic and aprotic) it was ascertained that improved solvatochromic three-correlation models for the group of protic solvents were obtained. The results show that the solvent effect on UV absorption spectra of investigated thiones was very complex and strongly dependent on the nature of the substituent in positions 4 and 5 in 1,2,4-triazole moiety. Moreover, the statistical evaluation of the models (R, SD, Q2 and PRESS/SSY) showed satisfactory values.References
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