MECHANISM OF SYN ADDITION OF MOLECULAR FLUORINE TO ETHYLENE - AN ABINITIO MO STUDY

The whole process for the syn addition of molecular fluorine to ethylene was analysed at the MP2/6-31 + G level with IRC calculation. The analysis indicates that fluorine approaches the C-C double bond vertically to form a perpendicular complex as the intermediate, which then reorientates to a rhombic-type complex as the transition state to give the final syn addition product. This shows that the square-type complex previously proposed is not involved in any stage of the reaction.