Orientation Dependence of Transition Matrix Elements for Energy Transfer Reaction CF3H + Ar(3P) → CF3* + Ar + H

Abstract

Abstract Transition matrix elements for the energy transfer were explicitly evaluated by ab initio SCF calculations in the CF3H + Ar(3P) → CF3* + Ar + H reaction. The matrix elements were obtained as functions of mutual orientation and distance between the reactants. The results show that the collision along the symmetry axis of the CF3H is preferable to produce the excited CF3H in the B or C state. On the other hand, the E state was found to be preferably generated by the side-on attack of Ar(3P). The present results agree well with the ones given by the electron density analysis, suggesting that the electron exchange process is dominant for showing the steric anisotropy in the title reaction.