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Quantum-chemical study of electrophilic addition reaction of iodine to ethylene

✍ Scribed by Jin Suqian (S. Q. Jin); Liu Ruozhuang (R. Z. Liu)

Publisher
John Wiley and Sons
Year
1984
Tongue
English
Weight
323 KB
Volume
25
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The relative stability of and barrier to interconversion of the two possible intermediates in the electrophilic addition of iodine to ethylene have been studied by means of ab initio molecular calculations with pseudopotential approximations. The geometries of the 2‐iodoethyl and ethylene iodonium cations have been optimized by the energy gradient technique with pseudopotential approximations. From the results of the calculations, it is found that the only possible intermediate is the cyclic ethylene iodonium ion, as shown by experiments.

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