Cluster Quantum-Chemical Study of the Interaction of Carbon Monoxide with Surface Acid Centers of Highly Dispersed Magnesium Chloride Научная публикация
Журнал |
Catalysis Letters
ISSN: 1011-372X , E-ISSN: 1572-879X |
||
---|---|---|---|
Вых. Данные | Год: 1994, Том: 29, Номер: 1-2, Страницы: 209-215 Страниц : 7 DOI: 10.1007/BF00814266 | ||
Ключевые слова | carbon monoxide adsorption, magnesium chloride, quantum-chemical MINDO/3 calculations | ||
Авторы |
|
||
Организации |
|
Реферат:
Within the MINDO /3 method, cluster models giving a description of highly dispersed magnesium chloride containing all sets of acid sites, i.e. three-, four- and five-coordinate magnesium ions, and surface hydroxyl groups have been proposed. Three types of CO adsorption complexes on the magnesium chloride surface have been considered. The C-O stretching frequencies of these adsorption complexes and the O-H stretching frequencies of hydroxyl groups on magnesium chloride calculated by a harmonic oscillator approach are in good agreement with available experimental and theoretical data.
Библиографическая ссылка:
Zhanpeisov N.U.
, Paukshtis E.A.
, Zhidomirov G.M.
, Zakharov V.A.
Cluster Quantum-Chemical Study of the Interaction of Carbon Monoxide with Surface Acid Centers of Highly Dispersed Magnesium Chloride
Catalysis Letters. 1994. V.29. N1-2. P.209-215. DOI: 10.1007/BF00814266 WOS Scopus РИНЦ
Cluster Quantum-Chemical Study of the Interaction of Carbon Monoxide with Surface Acid Centers of Highly Dispersed Magnesium Chloride
Catalysis Letters. 1994. V.29. N1-2. P.209-215. DOI: 10.1007/BF00814266 WOS Scopus РИНЦ
Даты:
Опубликована в печати: | 1 мар. 1994 г. |
Поступила в редакцию: | 29 апр. 1994 г. |
Принята к публикации: | 3 авг. 1994 г. |
Идентификаторы БД:
Web of science | WOS:A1994PR85400022 |
Scopus | 2-s2.0-0011987470 |
РИНЦ | 30814895 |
Chemical Abstracts | 1994:687308 |
Chemical Abstracts (print) | 121:287308 |
OpenAlex | W2009610757 |