Synthesis of sulphanyl compounds containing triazole and cyclobutane ring and their experimental and theoretical characteristics

In the first step of this thesis, which is planned in two stages, twenty thiosemicarbazides were obtained in total by the interaction of four different carboxylic acid hydrazides with five different isothiocyanate derivatives. KOH was subsequently added to the reaction medium to obtain aryl, allyl, ethyl and benzyl substituted 1,2,4-triazoles. In the second step of the work, the 3,4,5-trisubstituted 1,2,4-triazoles obtained in the first step were reacted with 2-chloro-1-(3-methyl-3-mesitylcyclobutyl) in dry acetone containing K2CO3 to give cyclobutane ring-, 3,4,5-trisubstituted 1,2,4-triazole sulfanyl compounds. These synthesized compounds were characterized experimentally by FT-IR, 1H-NMR, 13C-NMR, TGA/TDA and UV-VIS methods. In addition to experimental characterization studies, molecules were also theoretically characterized at the cc-PVDZ level using the Gaussian software package in combination with the DFT method. As a result of the studies performed here, it was seen that the correlation graphs obtained show that the experimental and calculated values are in harmony.