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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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