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

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

Библиографические подробности
Источник:Molecules.— .— Basel: MDPI AG
Vol. 28, iss. 23.— 2023.— Article number 7680, 13 p.
Другие авторы: Turebayeva P. Pana, Guslyakov A. N. Aleksey Nikolaevich, Novikova S. A. Svetlana Alekseevna, Khlebnikov A. I. Andrey Ivanovich, Befus E. A., Meshcheryakov E. P. Evgeny Pavlovich, Bakibaev A. A. Abdigali Abdimanapovich, Kusepova L. A. Lyazat Amanzholovna, Kasenova N. B. Nazira Bazarbaevna, Sharipova S. A. Sarzhan Aubakirovna, Yerkassov R. Sh. Rakhmetulla Sharapidenovich
Примечания:Title screen
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
Текстовый файл
Опубликовано: 2023
Предметы:
электронный ресурс
труды учёных ТПУ
bambus[6]uril
water absorption
DFT calculations
water desorption
aqua complex
Online-ссылка:https://doi.org/10.3390/molecules28237680
Формат: Электронный ресурс Статья
Запись в KOHA:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=679971

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