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Olefin Epoxidation by Molybdenum and Rhenium Peroxo and Hydroperoxo Compounds: A Density Functional Study of Energetics and Mechanisms

✍ Scribed by Gisdakis, Philip; Yudanov, Ilya V.; Rösch, Notker

Book ID
120474042
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
159 KB
Volume
40
Category
Article
ISSN
0020-1669

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A spiro attack on a peroxo group is calculated to be the preferred reaction pathway for olefin epoxidation with the catalytic system CH ReO /H O (see picture). This finding is supported by density functional calculations on more than ten transition states for the most probable mechanisms. Hydration