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Allylic Alcohol Epoxidation by Methyltrioxorhenium: A Density Functional Study on the Mechanism and the Role of Hydrogen Bonding

✍ Scribed by Di Valentin, Cristiana; Gandolfi, Remo; Gisdakis, Philip; Rösch, Notker

Book ID
127020286
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
213 KB
Volume
123
Category
Article
ISSN
0002-7863

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✍ Philip Gisdakis; Serge Antonczak; Sibylle Köstlmeier; Wolfgang A. Herrmann; Notk 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 130 KB 👁 2 views

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