Computational study of electrophilic addition to acrylate anion: cyclic halonium is the transition structure for degenerate rearrangement of alpha-lactones
Reference:
Ruggiero, G. D. and Williams, I. H., 2002. Computational study of electrophilic addition to acrylate anion: cyclic halonium is the transition structure for degenerate rearrangement of alpha-lactones. Chemical Communications
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Abstract
The cyclic chloronium or bromonium carboxylate obtained by addition of Cl+ or Br+ to acrylate anion is shown by PCM/ B3LYP/ 6- 31+ G* calculations to be not an intermediate but a transition structure for interconversion of equivalent halomethyl oxiranones.
Details
| Item Type | Articles |
| Creators | Ruggiero, G. D.and Williams, I. H. |
| DOI | 10.1039/b200900e |
| Departments | Faculty of Science > Chemistry |
| Refereed | Yes |
| Status | Published |
| ID Code | 5096 |
| Additional Information | ID number: ISI:000174552800031 |
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