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Using the MINDO/3-FORCES method the energy of the reactants, reaction products and the paths of reaction were calculated for F -  + CH 4 . The calculated values of the cartesian force constants of five assumed structures showed that only the configuration of bipyramid (distorted C 3v ) and the one with flourine bonded to a hydrogen atom are possible intermediates. Starting with the bipyramid the activation energy of the retention (63.6 kcal/mol) is calculated similar to the value recently reported for the same reaction of H -  + CH 4 . We calculated also the activation energies for the inversion (56.4 kcal/mol), H 2  elimination (71.8 kcal/mol) and the proton abstraction (37.6 kcal/mol) reactions.

MINDO/3-FORCES Study of the F - + CH 4 Reaction