|
ИСТИНА |
Войти в систему Регистрация |
ФНКЦ РР |
||
Studying the adsorption and activation of benzene and chlorobenzene on Ni(12%)/Al2O3 by means of gas chromatography and quantum chemistryстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 19 июля 2013 г.
- Авторы: Pichugina D.A., Lanin S.N., Beletskaya A.V., Bannykh A.A., Peristyi A.A., Polyakova M.V., Kuz'menko N.E.
- Журнал: Russian Journal of Physical Chemistry A
- Том: 86
- Номер: 12
- Год издания: 2012
- Издательство: Pleiades Publishing, Ltd
- Местоположение издательства: Road Town, United Kingdom
- Первая страница: 1892
- Последняя страница: 1897
- DOI: 10.1134/S0036024412120229
- Аннотация: Abstract In studying the surface and adsorption properties of Al2O3 and Ni(12%)/Al2O3 with respect to C6H6 and C6H5Cl, it is found that adsorbate-adsorbent interaction is stronger than adsorbate-adsorbate interaction. It is shown that the calculated isosteric heats of adsorption vary in a range of 61 to 45 kJ/mol depending on adsorption magnitude; for Ni(12%)/γ-Al2O3, as in the case of γ-Al2O3, the heat of adsorption of chlorobenzene is higher at low degrees of filling than that of benzene. According to density functional theory quantum-chemical calculations of the structures of complexes (NinC6H5Cl) z and (Ni n C6H6) z (n = 1, 4; z = −1, 0, +1), a nickel atom can penetrate into C6H5Cl along the C-Cl bond. It is concluded that a negative charge on nickel contributes to the efficient activation of the C-Cl bond and to an increase in the rate of desorption of benzene, a key step in the hydrodechlorination of chlorobenzene.
- Добавил в систему: Ланин Сергей Николаевич
Прикрепленные файлы
| № | Имя | Описание | Имя файла | Размер | Добавлен |
|---|---|---|---|---|---|
| 1. | Полный текст | Pichugina_D._A.__Studying_the_adsorption_and_activation_of_… | 362,9 КБ | 2 июня 2015 [LaninSN] |