Monte Carlo Calculations. II. The Reactions of Alkali Atoms with Methyl Iodide

Abstract

A large number of trajectories for the reactions of alkali metal atoms with methyl iodide were calculated with a very fast digital computer, and the results compared with those of molecular‐beam experiments on the same reactions. Agreement was found to be very good. The calculations also show the relative influence of various collision parameters on the distributions of product internal energy and angle of emission, and the effect of certain general features of the assumed potential energy surface. The calculated distributions of product rotational energy indicate that approximately all the initial angular momentum appears as product rotation.