The activation enera of the SN2 reaction I?--t CII3F -KM3 + F-is found equal to 7.9 kcal/mole through ab initio calculations of the reactants and of the transition state [FCH3FJ-. This value results almost solely from the contribution of d-type polarization functions.
An analysis of the interaction energy in some SN2 reactions
β Scribed by Giuliano Alagona; Caterina Ghio; Jacopo Tomasi
- Publisher
- Springer
- Year
- 1981
- Tongue
- English
- Weight
- 454 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1432-2234
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