Theoretical views on Szilard Chalmers reactions in solid systems. II. Parent reformation by billiard-ball collisions

Abstract

The problem of billiard-ball replacement reactions of atoms centrally located in the molecule has been approached, using the approximation of simple two-body collisions. The reentry process has been separated into steps which can be handled by straightforward mathematical operations. Collision diameters for given energy transfer were calculated using an exponentially screened potential.Species treated include dicyclopentadienyl metals, arene metal carbonyls, and hexacoordinated complex ions, although the method is applicable to many other types of compound. An important result is that the probability of successful billiard-ball replacement is not sensitive to the initial energy, as long as this is not too low. It is concluded that this method is, at its present stage, most useful in calculating lower limits for billiard-ball reformation by following the projectile energy down to ca. 100 eV. Below this energy it is considered that thermal decomposition of the reformed molecule is likely. Results of the calculation are compared with experimental data, and further experiments are suggested by which the contribution of billiard-ball collisions may be directly assessed.