Computer simulation of some reactions of energetic tritium and fluorine atoms

Abstract

A six body atom + tetrahedral molecule model of hot atom reactions is described and used to study the reactions of hot T and F atoms with CH₄ and CF₄. Excitation functions for all observed reactions are given for the energy range 0–30 eV. The functions are compared with the data available from recoil atom studies and found to be qualitatively consistent with the principal features of the experimental results. Of particular interest is the very high degree of internal excitation deposited in products following substitution reactions by hot F atoms with molecules containing at least two heavy atoms or groups. Using the F + CH₂F₂ system, it is shown that some substitution events occur in which more than 9.4 eV is deposited in the product molecule.