Regiochemical trends in the addition of free radicals to substituted olefins are investigated by different quantum chemical approaches with special reference to oxygen centered radicals. From a methodological point of view, density functional methods provide correct general trends but they do not re
A theoretical study of the addition of silyl radicals to olefinic monomers
✍ Scribed by Angel E. Lozano; Asunción Alonso; Fernando Catalina; Carmen Peinado
- Publisher
- John Wiley and Sons
- Year
- 1999
- Tongue
- English
- Weight
- 393 KB
- Volume
- 8
- Category
- Article
- ISSN
- 1022-1344
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📜 SIMILAR VOLUMES
**The presence of a negative partial charge on the benzylic carbon atom in the transition state** __(1)__ can be deduced from the experimentally determinable Hammett ϱ values. Alkyl radicals R^˙^ are accordingly seen to develop nucleophilic properties during addition to olefins. equation image
The nucleophilic addition of the malononitrile anion MN to formaldehyde was studied theoretically by the AM1 semiempirical MO method. The addition is found to be endothermic with a late productlike transition state on the reaction coordinate. Additions of MN y to a series of carbonyl compounds were