In this bachelor's thesis, the possibility of forming 6-methyl-1,3,5-triazine-2,4(1H,3H)-dithione (MTD) and its protonated form, 6-methyl-2,4-bis(sulfanylidene)-2,3,4,5-tetrahydro-1,3,5-triazin-1-ium (MTDH⁺), in the thiocyanate–acetonitrile reaction system was investigated. Reactions involving potassium and ammonium thiocyanate were carried out under various conditions, including solvothermal synthesis and the addition of selected metals and their salts. The obtained products were characterised by infrared spectroscopy, powder X-ray diffraction and single-crystal X-ray diffraction.
The newly prepared samples did not confirm the formation of MTD or related products, as IR analysis mainly indicated the presence of the starting thiocyanate salts. Among the samples obtained in previous studies, sample NK22 exhibited the greatest similarity to the literature-reported IR spectra of MTD; however, its identity could not be unambiguously confirmed using the applied analytical methods.
Part of this thesis also involved the analysis and comparison of the previously determined crystal structures of MTD and MTDHCl·H$_2$O, which had been isolated from product mixtures obtained during earlier laboratory studies. Their molecular geometry, crystal packing, and intermolecular interactions were analysed and described.
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