Absorption of Water Vapor by Bambus[6]uril and a Density Functional Theory Study of Its Aqua Complexes
Pana Turebayeva,
Alexey N. Guslyakov,
Svetlana A. Novikova,
Andrei I. Khlebnikov,
Ekaterina A. Befus,
Evgeniy P. Meshcheryakov,
Abdigali A. Bakibaev,
Lyazat Kusepova,
Nazira Kassenova,
Sarzhan Sharipova,
Rakhmetulla Yerkassov
Affiliations
Pana Turebayeva
Department of Chemistry, L.N. Gumilyov Eurasian National University, Astana 010008, Kazakhstan
Alexey N. Guslyakov
Faculty of Chemistry, National Research Tomsk State University, 634050 Tomsk, Russia
Svetlana A. Novikova
Kizhner Research Center, Tomsk Polytechnic University, 634050 Tomsk, Russia
Andrei I. Khlebnikov
Kizhner Research Center, Tomsk Polytechnic University, 634050 Tomsk, Russia
Ekaterina A. Befus
Faculty of Chemistry, National Research Tomsk State University, 634050 Tomsk, Russia
Evgeniy P. Meshcheryakov
Faculty of Chemistry, National Research Tomsk State University, 634050 Tomsk, Russia
Abdigali A. Bakibaev
Faculty of Chemistry, National Research Tomsk State University, 634050 Tomsk, Russia
Lyazat Kusepova
Department of Chemistry, L.N. Gumilyov Eurasian National University, Astana 010008, Kazakhstan
Nazira Kassenova
Department of Chemistry and Biotechnology, Sh. Ualikhanov Kokshetau University, Kokshetau 020000, Kazakhstan
Sarzhan Sharipova
Department of Pharmaceutical and Toxicological Chemistry, Pharmacognosy and Botany, Asfendiyarov Kazakh National Medical University, Almaty 050000, Kazakhstan
Rakhmetulla Yerkassov
Department of Chemistry, L.N. Gumilyov Eurasian National University, Astana 010008, Kazakhstan
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.
