20.500.12556/RUL-185947 Karakterizacija produktov, nastalih v raztopini tiocianata v acetonitrilu Characterization of products formed in a solution of thiocyanate in acetonitrile V diplomskem delu sem preučeval možnost nastanka 6-metil-1,3,5-triazin-2,4(1H,3H)-ditiona (MTD) oziroma njegove protonirane oblike, 6-metil-2,4-bis(sulfaniliden)-2,3,4,5-tetrahidro-1,3,5-triazin-1-ija (MTDH$^+$), v reakcijskem sistemu tiocianat–acetonitril. Izvedeni so bili reakcijski poskusi s kalijevim in amonijevim tiocianatom pri različnih pogojih, vključno s solvotermalno sintezo ter dodatkom izbranih kovin in njihovih soli. Nastali produkti so bili karakterizirani z infrardečo spektroskopijo, rentgensko praškovno difrakcijo in rentgensko difrakcijo na monokristalu. Novo pripravljeni vzorci niso potrdili nastanka MTD ali sorodnih produktov, saj je IRanaliza pokazala predvsem prisotnost izhodnih tiocianatnih soli. Med vzorci iz prejšnjih raziskav je vzorec NK22 izkazoval največ podobnosti z literaturno opisanimi spektri MTD, vendar njegove identitete z uporabljenimi metodami ni bilo mogoče nedvoumno potrditi. Del diplomskega dela je obsegal tudi analizo in primerjavo predhodno določenih kristalnih struktur spojin MTD in MTDHCl·H$_2$O, pridobljenih iz zmesi produktov predhodnih raziskav v laboratoriju. Opisani so bili molekulska geometrija obeh spojin, njuno kristalno pakiranje in intermolekulske interakcije. 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. tiocianat acetonitril 6-metil-1 3 5-triazin-2 4(1H 3H)-dition 6-metil2 4-bis(sulfaniliden)-2 3 4 5-tetrahidro-1 3 5-triazin-1-ijev klorid thiocyanate acetonitrile 6-methyl-1 3 5-triazine-2 4(1H 3H)-dithione 6-methyl-2 4-bis(sulfanylidene)-2 3 4 5-tetrahydro-1 3 5-triazin-1-ium chloride true false false Slovenski jezik Angleški jezik Diplomsko delo/naloga 2026-08-24 12:35:06 2026-08-24 12:35:18 2026-09-08 09:17:15 0000-00-00 00:00:00 2026 0 0 0000-00-00 NiDoloceno NiDoloceno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 25950 290316291 Virtic_Jure_-_Karakterizacija_produktov,_nastalih_v_raztopini_tiocianata_v_acetonitrilu.pdf Virtic_Jure_-_Karakterizacija_produktov,_nastalih_v_raztopini_tiocianata_v_acetonitrilu.pdf 1 DDC2B2FEB49FAAE8052DF8F598790535 665b039981cd807f23a89680d542bb4ae7f5f2fae355fb785740c101b3c91128 1945dc0e-9fa7-11f1-9b0d-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=244967 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0