Collision Theory Approach to I'+HI→I'H+I Reaction

Abstract

The impact-parameter method is applied to the hydrogen transfer reaction which has a similarity to resonant charge-transfer processes, due to the fact that mass ratio of H and I is fairly small. The cases for the four combinations (with or without taking account of the momentum transfer; either rectilinear and or curvilinear trajectories) are studied and compared. A (6-12) Lennard-Jones type potential is assumed to determine the curvilinear trajectory of the incident particle. A binding potential between H and I is assumed to be a Morse type. The calculated total cross section shows an undulating structure as a function of the incident velocity, similar to the glory effect, which is discussed in detail. The calculated reaction rate constants at room temperature are about 7×10 12 cc mol -1 sec -1 in the four cases. From our calculation, it appears that the momentum transfer effect is important and that the important contribution to the reaction rate comes from the cases where three atoms are in the collisi...