Table of Contents
Laser Chemistry
Volume 11, Issue 3-4, Pages 291-302
http://dx.doi.org/10.1155/LC.11.291

Theoretical Characterization of Transition State Dynamical Resonances in Heavy–Light–Heavy Reactions

Departament de Química Física, Universitat de Barcelona Martí i Franquès 1, Barcelona 08028, Spain

Copyright © 1991 Hindawi Publishing Corporation. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

The resonant reactivity of three elementary Heavy–Light–Heavy reactions is presented and discussed. Collinear reactivity, in which a vibrational adiabatic model is constructed, is used for a detailed analysis of resonance phenomena, which appear as a direct consequence of transition state metastable states in the strong interaction region of the potential energy surface. Their influence on the detailed mechanism of the elementary process is also discussed. The shape of the resonant peak, and the phase and the Argand plot of the S-matrix are used for a further characterization.

Three-dimensional approximate calculations are used to test the evolution of the energy dependent structure present in detailed quantities when sums and integrations over all partial waves contributing to reaction are taken into account to obtain the usual averaged global quantities such as integral state-to-state cross sections.