Theory of reactive scattering. IV. Simple model for endoergic and exoergic collinear reactive collisions

Abstract

An extension of the simple collinear reactive scattering model recently studied by Baer and Kouri is proposed which allows for the investigation of many additional features of chemical interest. The model is used to describe the reaction, A+BC→ AB+C, where the mass of the central atom B is assumed infinite. The asymptotic limit of the potentials of the initial and final channels differ, allowing for the study of endoergic and exoergic effects on reaction probabilities. The equations for the coupled channel operators are employed to develop a set of algebraic equations involving quantities that correspond to the transmission and reflection coefficients. While the derivations and final expressions are somewhat more cumbersome than the results of Baer and Kouri for the simplest model, the extension does not destroy the analytic nature of the solution procedure. The solution of this model is especially interesting since the equations for analogous three-dimensional models can be reduced to essentially the equations derived here.