Absorption of Water Vapor by Bambus[6]uril and a Density Functional Theory Study of Its Aqua Complexes; Molecules; Vol. 28, iss. 23
| Parent link: | Molecules.— .— Basel: MDPI AG Vol. 28, iss. 23.— 2023.— Article number 7680, 13 p. |
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| Other Authors: | , , , , , , , , , , |
| Summary: | 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 |
| Language: | English |
| Published: |
2023
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| Subjects: | |
| Online Access: | https://doi.org/10.3390/molecules28237680 |
| Format: | Electronic Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=679971 |
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| 200 | 1 | |a Absorption of Water Vapor by Bambus[6]uril and a Density Functional Theory Study of Its Aqua Complexes |f Pana Turebayeva, Alexey N. Guslyakov, Svetlana A. Novikova [et al.] | |
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| 330 | |a 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 | ||
| 336 | |a Текстовый файл | ||
| 461 | 1 | |t Molecules |c Basel |n MDPI AG | |
| 463 | 1 | |t Vol. 28, iss. 23 |v Article number 7680, 13 p. |d 2023 | |
| 610 | 1 | |a электронный ресурс | |
| 610 | 1 | |a труды учёных ТПУ | |
| 610 | 1 | |a bambus[6]uril | |
| 610 | 1 | |a water absorption | |
| 610 | 1 | |a DFT calculations | |
| 610 | 1 | |a water desorption | |
| 610 | 1 | |a aqua complex | |
| 701 | 1 | |a Turebayeva |b P. |g Pana | |
| 701 | 1 | |a Guslyakov |b A. N. |g Aleksey Nikolaevich | |
| 701 | 1 | |a Novikova |b S. A. |g Svetlana Alekseevna | |
| 701 | 1 | |a Khlebnikov |b A. I. |c Chemist |c Professor of Tomsk Polytechnic University |f 1963- |g Andrey Ivanovich |9 17500 | |
| 701 | 1 | |a Befus |b E. A. | |
| 701 | 1 | |a Meshcheryakov |b E. P. |g Evgeny Pavlovich | |
| 701 | 1 | |a Bakibaev |b A. A. |c Russian chemist |c Professor of TPU, doctor of chemical sciences |f 1960- |g Abdigali Abdimanapovich |9 12886 | |
| 701 | 1 | |a Kusepova |b L. A. |g Lyazat Amanzholovna | |
| 701 | 1 | |a Kasenova |b N. B. |g Nazira Bazarbaevna | |
| 701 | 1 | |a Sharipova |b S. A. |g Sarzhan Aubakirovna | |
| 701 | 1 | |a Yerkassov |b R. Sh. |g Rakhmetulla Sharapidenovich | |
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