Dynamics of Reactions Involving Hydrogen Atom or Proton Transfer Symmetric Case.
Abstract
A method is devised for treating the transfer of a light particle such as a hydrogen atom or a proton between two heavy particles, for the case of a collinear symmetric reaction AH + A yield A + HA. Polar coordinates (rho, theta) with origin at the origin of the usual mass-weighted skewed-angle potential energy contour plot are employed to simplify the calculation. Symmetric and antisymmetric vibrationally adiabatic states are obtained at each rho. They provide an effective potential for the rho-motion and used to obtain the elastic adiabatic phase shifts for the rho-motion and from them the transfer probability. The rho-motion corresponds approximately to that of the heavy particles and the theta to that of the light one. Semiclassical limiting expressions are obtained and provide a description of light particle tunneling at low energies for heavy-light-heavy particle systems. Numerical comparisons are given and the present approximation is good for the systems investigated. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Sep 01, 1980
- Accession Number
- ADA090588
Entities
Organizations
- California Institute of Technology