Abstract
Ab initio direct dynamics calculations have been carried out for the ionization and electron attachment processes for the CCl 3F molecule in order to obtain dynamical information on these processes. CCl 3F + produced via vertical ionization directly dissociates into CCl 2F + + Cl within a very short time. It has been found that 80% of the available energy is partitioned into the relative translational energy. It has been also found that CCl 3F − formed by vertical electron attachment dissociates to CCl 2F + Cl −; however, the energy partitioning was very different from the CCl 3F + case. This difference in the dissociation dynamics has been discussed on the basis of the potential energy curves.
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