Dynamics of Isobutane inside Zeolite ZSM-5. A Study with Deuterium Solid-State NMR Научная публикация
| Журнал |
The Journal of Physical Chemistry B
ISSN: 1520-6106 , E-ISSN: 1520-5207 |
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| Вых. Данные | Год: 2002, Том: 106, Номер: 39, Страницы: 10114-10120 Страниц : 7 DOI: 10.1021/jp0145762 | ||||||
| Ключевые слова | Activation energy; Adsorption; Butane; Chemical bonds; Deuterium; Nuclear magnetic resonance; Zeolites | ||||||
| Авторы |
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| Организации |
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Информация о финансировании (2)
| 1 | Российский фонд фундаментальных исследований | 00-03-22002 |
| 2 | International Association for the Promotion of Co-operation with Scientists from the New Independent States of the Former Soviet Union | 96-1177 |
Реферат:
Perdeuterated isobutane-d10, when it is adsorbed on zeolite ZSM-5, has been shown to exhibit a superposition of two 2H NMR Pake-powder patterns with quadrupole constants CQ = 2.35 kHz and asymmetry parameters η = 0.17 for the CD3 groups and CQ = 23.0 kHz and η = 0.20 for the CD group at 153−373 K. The narrowed Pake-powder patterns have been interpreted in terms of the motional behavior of isobutane molecules located at the channel intersections of the zeolite framework. The dynamic behavior of isobutane is complex and includes probably both fast intramolecular rotations and large amplitude hops of the molecule as a whole. For example, the motion of the CD group may be effectively described as consisting of the combination of the precession of the CD group around some axis Z, which makes up the angle γ ≈ 47° with the direction of the C−D bond, and fast hops of the axis Z itself between four nonequally populated orientations, determined by the geometry of the zeolite channel segments. Simultaneously, fast rotation of the methyl groups occurs around two different C3 axes. The activation energies and rotational correlation times at 373 K have been estimated to be 13.5 kJ/mol and 41 ps for the methyl groups and 17.7 kJ/mol and 1200 ps for the methene group, respectively.
Библиографическая ссылка:
Stepanov A.G.
, Alkaev M.M.
, Shubin A.A.
, Luzgin M.V.
, Shegai T.O.
, Jobic H.
Dynamics of Isobutane inside Zeolite ZSM-5. A Study with Deuterium Solid-State NMR
The Journal of Physical Chemistry B. 2002. V.106. N39. P.10114-10120. DOI: 10.1021/jp0145762 WOS Scopus РИНЦ CAPlusCA OpenAlex
Dynamics of Isobutane inside Zeolite ZSM-5. A Study with Deuterium Solid-State NMR
The Journal of Physical Chemistry B. 2002. V.106. N39. P.10114-10120. DOI: 10.1021/jp0145762 WOS Scopus РИНЦ CAPlusCA OpenAlex
Даты:
| Поступила в редакцию: | 18 дек. 2001 г. |
| Опубликована online: | 5 сент. 2002 г. |
| Опубликована в печати: | 1 окт. 2002 г. |
Идентификаторы БД:
| Web of science: | WOS:000178273500020 |
| Scopus: | 2-s2.0-0037015398 |
| РИНЦ: | 41798390 |
| Chemical Abstracts: | 2002:667063 |
| Chemical Abstracts (print): | 137:337498 |
| OpenAlex: | W2083341327 |