Computational study on the kinetics of the reaction of N(4S) with CH2F

A computational study, in the framework of statistical kinetic theories, of the reaction of CH2F radicals with N(4S) has been carried out. The kinetically preferred products are the most stable ones, HFCN + H. Nevertheless the second most stable products, t-FCNH + H, are only found in residual quantities, whereas the kinetic calculations show that H2CN + F (less stable than t-FCNH+H by nearly 8 kcal/mol) are the second most favoured products. At any value of internal energy elimination of a hydrogen atom from the starting intermediate (FCH2N) is always preferred over elimination of a fluorine atom.