Ion Pair SN2 Reactions. Theoretical Study of Inversion and Retention Mechanisms
β Scribed by Harder, Sjoerd; Streitwieser, Andrew; Petty, Jeffrey T.; von Schleyer, Paul
- Book ID
- 127318472
- Publisher
- American Chemical Society
- Year
- 1995
- Tongue
- English
- Weight
- 706 KB
- Volume
- 117
- Category
- Article
- ISSN
- 0002-7863
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The structure of lithium and sodium cyanates and isocyanates and their related ion pair S 2 reactions were investigated using molecular N Ε½ . quantum mechanics at the HartreeαFock HF r6-31G\*\*rrHFr6-31G\*\* level. Extensive further calculations of some of the lithium systems at higher levels gave n
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