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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
CreatorsRuggiero, G. D.and Williams, I. H.
DOI10.1039/b200900e
DepartmentsFaculty of Science > Chemistry
RefereedYes
StatusPublished
ID Code5096
Additional InformationID number: ISI:000174552800031

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