Quantum Chemical Study of Nitrous Oxide Adsorption and Decomposition on Lewis Acid Sites Научная публикация
Журнал |
Catalysis Letters
ISSN: 1011-372X , E-ISSN: 1572-879X |
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Вых. Данные | Год: 1999, Том: 63, Номер: 1-2, Страницы: 91-95 Страниц : 5 DOI: 10.1023/A:1019092232161 | ||
Ключевые слова | Decomposition, Density functional calculations, Lewis sites, Nitrous oxide, Triplet oxygen stabilization, Zeolites | ||
Авторы |
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Организации |
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Информация о финансировании (2)
1 | Российский фонд фундаментальных исследований | 96-15-97571 |
2 | Netherlands Organisation for Scientific Research | 047-005-011 |
Реферат:
Density functional calculations demonstrate that ordinary Lewis sites containing three‐ and five‐coordinated Al are unlikely to decompose N2O, since the formation of a weak Al–O bond does not compensate the N–O bond rupture. The ground state of the calculated cluster–oxygen adsorption complexes is triplet. The considered hypothetical site Al(OH)4AlO can be reactive towards the N2O decomposition with the heat -17.8 kcal/mol and activation barrier 19.7 kcal/mol.
Библиографическая ссылка:
Yakovlev A.L.
, Zhidomirov G.M.
Quantum Chemical Study of Nitrous Oxide Adsorption and Decomposition on Lewis Acid Sites
Catalysis Letters. 1999. V.63. N1-2. P.91-95. DOI: 10.1023/A:1019092232161 WOS Scopus РИНЦ
Quantum Chemical Study of Nitrous Oxide Adsorption and Decomposition on Lewis Acid Sites
Catalysis Letters. 1999. V.63. N1-2. P.91-95. DOI: 10.1023/A:1019092232161 WOS Scopus РИНЦ
Даты:
Поступила в редакцию: | 29 мар. 1999 г. |
Принята к публикации: | 13 сент. 1999 г. |
Опубликована в печати: | 1 нояб. 1999 г. |
Идентификаторы БД:
Web of science | WOS:000083862500013 |
Scopus | 2-s2.0-0033232661 |
РИНЦ | 13327637 |
Chemical Abstracts | 1999:810765 |
Chemical Abstracts (print) | 132:27236 |
OpenAlex | W114524342 |