Abstract
Non-empirical SCF-MO calculations were carried out on two limiting structures of C2H4F+, corresponding to the cyclic and open valence tautomers,
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.
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Hopkinson, A.C., Lien, M.H., Yates, K. et al. A quantum chemical study on electrophilic addition. Theoret. Chim. Acta 38, 21–35 (1975). https://doi.org/10.1007/BF01046554
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DOI: https://doi.org/10.1007/BF01046554