Multiple-crossing electron-jump model for reactions of metal atoms with diatomic halogen molecules

Abstract

The reaction of metal atoms with diatomic halogen molecules via an electron jump is examined using the multiple‐crossing formalism of Bauer and Fisher. This permits the calculation of reactive cross sections from known properties of the atom and the molecule. Application of the model to reactions of I₂ yields cross sections in good agreement with available experimental data. The model predicts that vibrational excitation via curve crossings should become an important process at energies above thermal, and cross section estimates are obtained. In addition, the relationship between the location of the electron jump and the dynamics of the reaction is examined. Finally, the model presented here is compared with other electron‐jump models.