Olefin Epoxidation by Molybdenum and Rhenium Peroxo and Hydroperoxo Compounds: A Density Functional Study of Energetics and Mechanisms Научная публикация
| Журнал |
Inorganic Chemistry
ISSN: 0020-1669 , E-ISSN: 1520-510X |
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| Вых. Данные | Год: 2001, Том: 40, Номер: 15, Страницы: 3755-3765 Страниц : 11 DOI: 10.1021/ic010201j | ||||
| Ключевые слова | alkene; molybdenum; reactive oxygen metabolite; rhenium | ||||
| Авторы |
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| Организации |
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Реферат:
A density functional study on olefin epoxidation by rhenium and molybdenum peroxo complexes has been carried out. Various derivatives of the systems CH3ReO3/H2O2, H3NMoO3/H2O2, and H3NOMoO3/H2O2 are characterized, including monoperoxo, bisperoxo, and hydroperoxo intermediates. Different pathways of oxygen transfer to the model olefin ethylene are discussed on the basis of computed transition structures and activation barriers.
Библиографическая ссылка:
Gisdakis P.
, Yudanov I.V.
, Rösch N.
Olefin Epoxidation by Molybdenum and Rhenium Peroxo and Hydroperoxo Compounds: A Density Functional Study of Energetics and Mechanisms
Inorganic Chemistry. 2001. V.40. N15. P.3755-3765. DOI: 10.1021/ic010201j WOS Scopus РИНЦ CAPlusCA OpenAlex
Olefin Epoxidation by Molybdenum and Rhenium Peroxo and Hydroperoxo Compounds: A Density Functional Study of Energetics and Mechanisms
Inorganic Chemistry. 2001. V.40. N15. P.3755-3765. DOI: 10.1021/ic010201j WOS Scopus РИНЦ CAPlusCA OpenAlex
Даты:
| Поступила в редакцию: | 20 февр. 2001 г. |
| Опубликована online: | 13 июн. 2001 г. |
| Опубликована в печати: | 1 июл. 2001 г. |
Идентификаторы БД:
| Web of science: | WOS:000169861800014 |
| Scopus: | 2-s2.0-0035898079 |
| РИНЦ: | 14261457 |
| Chemical Abstracts: | 2001:423797 |
| Chemical Abstracts (print): | 135:152536 |
| OpenAlex: | W1963823055 |