S un Se saturošu nukleofilo katalizatoru dizains
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Latvijas Universitāte
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lav
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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.
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.
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.