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Mechanism of methylacetylene bisselenation catalyzed by palladium complex from density functional study

✍ Scribed by Meiyan Wang; Lin Cheng; Jinping Wang; Zhijian Wu

Book ID
118284217
Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
901 KB
Volume
32
Category
Article
ISSN
0192-8651

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Reaction mechanism of palladium-catalyzed silastannation of allenes by density functional theory
✍ Meiyan Wang; Lin Cheng; Bo Hong; Zhijian Wu 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 857 KB

## Abstract The reaction mechanism of Pd(0)‐catalyzed allenes silastannation reaction is investigated by the density functional method B3LYP. The overall reaction mechanism is examined. For the allene insertion step, the PdSi bond is preferred over the PdSn bond. The electronic mechanism of the a