Hyperspherical analysis of kinetic paths for elementary chemical reactions and their angular momentum dependence
✍ Scribed by Vincenzo Aquilanti; Simonetta Cavalli
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 533 KB
- Volume
- 141
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Exploiting the hyperspherical mapping of potential energy surfaces, the evolutions of minima (valley bottoms) and saddles (ridges) as a function of the kinetic radius are identified as kinetic paths for studying reaction mechanisms and dynamics. The effect of angular momentum is investigated quantum-mechanically in a hyperspherical harmonic basis and a lower bound to adiabatic evolution is established. By a classical stability analysis, the dependence of angular momentum effects on configuration is studied. Some features of kinetic paths (such as the occurrence of symmetry degeneracies and bifurcations related to elementary catastrophes) are briefly illustrated for kinetic paths on surfaces for H, and H3+.