A physical interpretation of the collinear reactive scattering resonances in the F+HD, H2, and D2 systems

Abstract

A simple model is presented that explains the main characteristics of the low energy resonances found in accurate quantum mechanical scattering calculations of collinear reactive collisions of the type F+XY → FX+Y, where X and Y are H or D atoms. The wave function of the resonance complex can be approximately described by a product of a function of the F–XY distance and a vibrationally adiabatic function of the X–Y distance. The corresponding vibrational eigenvalues of the XY diatom as a function of the F–XY distance form an attractive, effective one-dimensional potential for the F–XY motion that supports a quasibound state. The resulting resonance is broadened by its interaction with the reagent and product scattering states. The resonance energies given by the model are in good agreement with those obtained by exact scattering calculations for the F+HD, H2, and D2 systems.