Computational study of electrophilic addition to acrylate anion: cyclic halonium is the transition structure for degenerate rearrangement of alpha-lactones

G D Ruggiero, I H Williams

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

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.
Original languageEnglish
Pages (from-to)732-733
Number of pages2
JournalChemical Communications
Issue number7
DOIs
Publication statusPublished - 2002

Fingerprint Dive into the research topics of 'Computational study of electrophilic addition to acrylate anion: cyclic halonium is the transition structure for degenerate rearrangement of alpha-lactones'. Together they form a unique fingerprint.

Cite this