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

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Parent link:	Molecules.— .— Basel: MDPI AG Vol. 28, iss. 23.— 2023.— Article number 7680, 13 p.
Tác giả khác:	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
Tóm tắt:	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
Được phát hành:	2023
Những chủ đề:	электронный ресурс труды учёных ТПУ bambus[6]uril water absorption DFT calculations water desorption aqua complex
Truy cập trực tuyến:	https://doi.org/10.3390/molecules28237680
Định dạng:	Điện tử Chương của sách
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=679971

Internet

https://doi.org/10.3390/molecules28237680