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.
- Electrophilic addition
- Ethylene, reaction of fluorine with ∼
- Fluorine, reaction with ethylene
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