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

被引:6
|
作者
Ruggiero, GD [1 ]
Williams, IH [1 ]
机构
[1] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England
关键词
D O I
10.1039/b200900e
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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.
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页码:732 / 733
页数:2
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