dc.contributor.advisor | Kinēns, Artis | |
dc.contributor.author | Filipsons, Oto | |
dc.contributor.other | Latvijas Universitāte. Ķīmijas fakultāte | |
dc.date.accessioned | 2023-09-06T01:03:16Z | |
dc.date.available | 2023-09-06T01:03:16Z | |
dc.date.issued | 2023 | |
dc.identifier.other | 96480 | |
dc.identifier.uri | https://dspace.lu.lv/dspace/handle/7/64187 | |
dc.description.abstract | S un Se saturošu nukleofilo katalizatoru dizains. Filipsons O., zinātniskais vadītājs Dr. ķīm. Kinēns A. Bakalaura darbs. 49 lpp., 26 attēli, 8 tabulas, 30 literatūras avoti. Latviešu valodā. Bakalaura darba ietvaros izstrādāti 8 halkogēnus saturoši DMAP tipa nukleofilie katalizatori. To katalītiskā aktivitāte tika pārbaudīta, veicot stēriski traucēta otrējā spirta acilēšanu. Tika noteikts, ka visaugstāko aktivitāti no iegūtā S saturošo katalizatoru klāsta uzrāda 4-pirolidinilpiridīna atvasinājums, kurš satur metiltiogrupu C-2 pozīcijā. Savukārt no sintezētajiem Se saturošajiem katalizatoriem visaktīvākais ir DMAP atvasinājums, kuram C-2 pozīcijā ievadīta fenilselanilgrupa. Tika veikti kvantu ķīmijas aprēķini, lai noteiktu reakcijas starpsavienojumu stabilāko konformāciju, acetilkatjona afinitāti, kā arī spirta acilēšanas reakcijas potenciālās enerģijas virsmu. | |
dc.description.abstract | Design of S and Se containing nucleophilic catalysts. Filipsons O., supervisor Dr. chem. Kinēns A. Course work. 49 pages, 26 figures, 8 tables, 30 literature references. In Latvian. 8 chalcogen containing nucleophilic DMAP type catalysts were developed in the course work. Their catalytic activities were determined in a sterically hindered secondary alcohol acylation reaction. It was determined that the highest activity in the S containing catalyst series is exhibited by a derivative of 4-pyrrolidinylpyridine that contains a methylthio group in the C-2 position. However, out of the synthesized Se containing catalysts the highest activity is exhibited by a derivative of DMAP that bears a phenylselanyl group at the C-2 position. Quantum chemistry computations were carried out to determine the conformations of the reaction intermediates and acetyl cation affinity as well as the potential energy surface of the alcohol acylation reaction. | |
dc.language.iso | lav | |
dc.publisher | Latvijas Universitāte | |
dc.rights | info:eu-repo/semantics/openAccess | |
dc.subject | Ķīmija | |
dc.subject | NUKLEOFILĀ KATALĪZE | |
dc.subject | HALKOGĒNU SAITES | |
dc.subject | DMAP | |
dc.subject | ACETILKATJONA AFINITĀTE | |
dc.title | S un Se saturošu nukleofilo katalizatoru dizains | |
dc.title.alternative | Design of S and Se containing nucleophilic catalysts | |
dc.type | info:eu-repo/semantics/bachelorThesis | |