Analytical Mechanics of Chemical Reactions. VI. Rotational and Vibrational Distributions of the H + H_2 Reaction in a Plane

Abstract

Rotational and vibrational distributions for the exchange reaction H+H_(2)→H_(2)+H are obtained numerically for reaction in a plane and compared with the vibrationally adiabatic solutions. Evidence is obtained regarding the two adiabatic solutions for the final rotational state predicted earlier and for the disappearance of one of these at higher initial relative velocity. Good agreement between calculations based on natural collision coordinates and these based on Cartesian coordinates was found, where tested. The vibrational motion for reaction in a plane is fairly adiabatic on the average at energies of thermal interest. Connections with other properties are noted. The results support the idea of statistical adiabaticity suggested earlier in this series and thus support a derivation of activated complex theory based on this concept.

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