Issue 7, 2002

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

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.

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

Supplementary files

Article information

Article type
Communication
Submitted
24 Jan 2002
Accepted
22 Feb 2002
First published
07 Mar 2002

Chem. Commun., 2002, 732-733

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

G. D. Ruggiero and I. H. Williams, Chem. Commun., 2002, 732 DOI: 10.1039/B200900E

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