A quantum chemical study on electrophilic addition - Part I. Reaction of fluorine with ethylene

Alan C. Hopkinson, Min H. Lien, Keith Yates, Imre G. Csizmadia

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Abstract

Non-empirical SCF-MO calculations were carried out on two limiting structures of C2H4F+, corresponding to the cyclic and open valence tautomers,[Figure not available: see fulltext.] both of which are possible reaction intermediates of the electrophilic addition reaction of F2 to CH2 =CH2. It was found that both species had thermodynamic stability, corresponding to two distinct minima on the energy surface. However, the 2-fluoroethyl carbonium ion showed a greater stability than the fluoronium ion by about 10 kcal/mole.

Original languageEnglish
Pages (from-to)21-35
Number of pages15
JournalTheoretica chimica acta
Volume38
Issue number1
DOIs
Publication statusPublished - Mar 1 1975

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Keywords

  • Electrophilic addition
  • Ethylene, reaction of fluorine with ∼
  • Fluorine, reaction with ethylene

ASJC Scopus subject areas

  • Chiropractics

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