The K + ICH₃→ KI + CH₃reaction: Interpretation of the product angular and energy distributions in terms of a direct interaction model

Abstract

A three-body direct interaction model is used to calculate angular and kinetic energy distributions for the products of the K+ ICHa--+KI+CHa reaction. Experimental distributions can be rationalized consistently in terms of the model if the CH3-I interaction is dependent on the orientation of CHaI with respect to the incoming K atom. For this particular mass combination the shape of the angular distribution is seen to be a reflection of the steric effect (dependence of cross section on CHaI orientational angle), while the kinetic energy distribution is more sensitive to the shape of the potential energy surface for reaction. The presence of CH3I internal energy is shown to have a minor effect on the product distributions.

Predominance of Knockout Reactions at High Energy in Collisions of X + H2 (X = O(3P), F, Cl, T, and H)

“…In summary, atom A first approaches atom B closely but then goes on to react with C; this is a knockout reaction. The mechanism described here is very similar to the DIPR model, − which we have shown reproduces many of the scattering features of the O + H 2 reaction . Real collisions are more complicated because the A−B−C intermediate lives long enough for it to rotate before the energy is released, so product AC molecules appear over a wide range of scattering angles.…”

“…From the velocities a set of algorithms is used to select the final product state. The program uses either the sequential impulse model − or the direct interaction with product repulsion (DIPR) procedure − to treat the three-atom interaction and determine the final velocities of A, B, and C. The results of the hard sphere program are then compared with the QCT calculations; similarities and differences give insights into the reaction mechanism.…”