Deuterium Solid-State NMR Study of the Dynamic Behavior of Deuterons and Water Molecules in Solid D3PW12O40 Научная публикация
Журнал |
The Journal of Physical Chemistry B
ISSN: 1520-6106 , E-ISSN: 1520-5207 |
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Вых. Данные | Год: 2003, Том: 107, Номер: 45, Страницы: 12438-12443 Страниц : 6 DOI: 10.1021/jp030204c | ||||||
Ключевые слова | Activation energy; Catalyst activity; Chemical relaxation; Electron mobility; Hydrogen bonds; Nuclear magnetic resonance; Rotation; Water; Zeolites | ||||||
Авторы |
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Организации |
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Реферат:
The mobility of water molecules and deuterons of the deuterated analogue of solid 12-tungstophosphoric acid, H3PW12O40·nH2O (HPA) (n = 5.5 and 0.1), has been characterized by deuterium solid-state NMR. Analysis of the 2H NMR line shape and spin−lattice relaxation times allowed us to characterize the deuteron and water dynamics in HPA, at different water contents, in the temperature range 103−383 K. At 163−193 K and for n = 5.5, an intramolecular motion corresponding to reorientations by 180° flips around the C2 axis of water in the [D5O2]+ ion has been detected, the deuteron being probably immobile. At temperatures above 313 K, both water and deuteron become involved in fast rotation around the C3 axis of the formed [D3O]+ ion. The rotation is performed on a time scale of 30−50 ns with an activation energy Ea of 8.5 kJ/mol. For n = 0.1, three dynamically different species can be distinguished: mobile deuterons, mobile [D3O]+ ions, and immobile deuterons. Mobile deuterons are weakly bonded to polyanions and move fast with a characteristic time of a few picoseconds and Ea = 8.6 kJ/mol. [D3O]+ ions move more slowly than deuterons, but still fast, with a time scale of a few nanoseconds, and Ea = 17.6 kJ/mol. The characteristic time for immobile deuterons is much greater than a few microseconds.
Библиографическая ссылка:
Stepanov A.G.
, Shegai T.O.
, Luzgin M.V.
, Essayem N.
, Jobic H.
Deuterium Solid-State NMR Study of the Dynamic Behavior of Deuterons and Water Molecules in Solid D3PW12O40
The Journal of Physical Chemistry B. 2003. V.107. N45. P.12438-12443. DOI: 10.1021/jp030204c WOS Scopus РИНЦ
Deuterium Solid-State NMR Study of the Dynamic Behavior of Deuterons and Water Molecules in Solid D3PW12O40
The Journal of Physical Chemistry B. 2003. V.107. N45. P.12438-12443. DOI: 10.1021/jp030204c WOS Scopus РИНЦ
Даты:
Поступила в редакцию: | 12 февр. 2003 г. |
Опубликована online: | 21 окт. 2003 г. |
Опубликована в печати: | 1 нояб. 2003 г. |
Идентификаторы БД:
Web of science | WOS:000186425300012 |
Scopus | 2-s2.0-0344063408 |
РИНЦ | 13419902 |
Chemical Abstracts | 2003:826216 |
Chemical Abstracts (print) | 140:34788 |
OpenAlex | W1978193604 |