Olefin Epoxidation by Molybdenum and Rhenium Peroxo and Hydroperoxo Compounds: A Density Functional Study of Energetics and Mechanisms Full article
| Journal |
Inorganic Chemistry
ISSN: 0020-1669 , E-ISSN: 1520-510X |
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| Output data | Year: 2001, Volume: 40, Number: 15, Pages: 3755-3765 Pages count : 11 DOI: 10.1021/ic010201j | ||||
| Tags | alkene; molybdenum; reactive oxygen metabolite; rhenium | ||||
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Abstract:
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.
Cite:
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 OpenAlex ANCAN
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 OpenAlex ANCAN
Dates:
| Submitted: | Feb 20, 2001 |
| Published online: | Jun 13, 2001 |
| Published print: | Jul 1, 2001 |
Identifiers:
| ≡ Web of science: | WOS:000169861800014 |
| ≡ Scopus: | 2-s2.0-0035898079 |
| ≡ Elibrary: | 14261457 |
| ≡ OpenAlex: | W1963823055 |
| ≡ Chemical Abstracts: | 2001:423797 |
| ≡ Chemical Abstracts (print): | 135:152536 |