Absorption of Water Vapor by Bambus[6]uril and a Density Functional Theory Study of Its Aqua Complexes
Turebayeva P. Guslyakov A.N. Novikova S.A. Khlebnikov A.I. Befus E.A. Meshcheryakov E.P. Bakibaev A.A. Kusepova L. Kassenova N. Sharipova S. Yerkassov R.
December 2023Multidisciplinary Digital Publishing Institute (MDPI)
Molecules
2023#28Issue 23
The absorption/desorption of water vapor by bambus[6]uril (Bu[6]) has been studied. According to kinetic experiments, the absorption capacity of Bu[6] is 4 moles of water per 1 mole of Bu[6] with the absorption duration of 20 min and the complete desorption duration of 100 min. Experimental rate constants for water vapor absorption and desorption by Bu[6] have been determined to be 0.166 min−1 and 0.0221 min−1, respectively. The obtained results are in agreement with theoretical calculations using the DFT method. A hypothetical structure of bambus[6]uril tetrahydrate (Bu[6]·4H2O) has been proposed based on the experimental and DFT data.
aqua complex , bambus[6]uril , DFT calculations , water absorption , water desorption
Text of the article Перейти на текст статьи
Department of Chemistry, L.N. Gumilyov, Eurasian National University, Astana, 010008, Kazakhstan
Faculty of Chemistry, National Research Tomsk State University, Tomsk, 634050, Russian Federation
Kizhner Research Center, Tomsk Polytechnic University, Tomsk, 634050, Russian Federation
Department of Chemistry and Biotechnology, Sh. Ualikhanov Kokshetau University, Kokshetau, 020000, Kazakhstan
Department of Pharmaceutical and Toxicological Chemistry, Pharmacognosy and Botany, Asfendiyarov Kazakh National Medical University, Almaty, 050000, Kazakhstan
Department of Chemistry
Faculty of Chemistry
Kizhner Research Center
Department of Chemistry and Biotechnology
Department of Pharmaceutical and Toxicological Chemistry
10 лет помогаем публиковать статьи Международный издатель
Книга Публикация научной статьи Волощук 2026 Book Publication of a scientific article 2026