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Absorption of Water Vapor by Bambus[6]uril and a Density Functional Theory Study of Its Aqua Complexes

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dc.contributor.author Turebayeva, Pana
dc.contributor.author Guslyakov, Alexey N.
dc.contributor.author Novikova, Svetlana A.
dc.contributor.author Khlebnikov, Andrei I.
dc.contributor.author Befus, Ekaterina A.
dc.contributor.author Meshcheryakov, Evgeniy P.
dc.contributor.author Bakibaev, Abdigali A.
dc.contributor.author Kusepova, Lyazat
dc.contributor.author Kassenova, Nazira
dc.contributor.author Sharipova, Sarzhan
dc.contributor.author Yerkassov, Rakhmetulla
dc.date.accessioned 2024-09-11T04:57:08Z
dc.date.available 2024-09-11T04:57:08Z
dc.date.issued 2023
dc.identifier.citation 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.; et al. Absorption of Water Vapor by Bambus[6]uril and a Density Functional Theory Study of Its Aqua Complexes. Molecules 2023, 28, 7680. https://doi.org/10.3390/ molecules28237680 ru
dc.identifier.issn 1420-3049
dc.identifier.other doi.org/10.3390/molecules28237680
dc.identifier.uri http://rep.enu.kz/handle/enu/16183
dc.description.abstract 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. ru
dc.language.iso en ru
dc.publisher Molecules ru
dc.relation.ispartofseries Volume 28;Issue 23
dc.subject bambus[6]uril ru
dc.subject water absorption ru
dc.subject DFT calculations ru
dc.subject water desorption ru
dc.subject aqua complex ru
dc.title Absorption of Water Vapor by Bambus[6]uril and a Density Functional Theory Study of Its Aqua Complexes ru
dc.type Article ru


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