Abstract
The relative stabilization of a carbon-carbon double bond by CI and Br was obtained by ab initio MO calculations. The results at the MP2//RHF/CEP-21G* level corrected for differences in zero-point energy show that stabilization by Cll exceeds that by Br by ca. 1.3 kcal mol−1. Consequences related to the use of kBr/kCl ratios as mechanistic probes in vinylic substitution are discussed.
Original language | English |
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Pages (from-to) | 5424-5426 |
Number of pages | 3 |
Journal | Journal of Organic Chemistry |
Volume | 56 |
Issue number | 18 |
DOIs | |
State | Published - 1 Aug 1991 |