The Dynamics of the H + X₂O (X=H,D) Gas-Phase Isotope Reactions: Comparison Between Experiment and Quantum Theory

Hans-Robert Volpp

Keywords

Molecular reaction dynamics, isotope exchange reactions, hot atom chemistry:

Abstract

The gas-phase reaction of hydrogen atoms with water has become a prototypical benchmark system for comparison between results of experimental reaction dynamics studies and quasiclassical as well as with approximate and exact four-atom quantum mechanical reactive scattering calculations. The present article is an attempt to review the advances achieved in recent experimental and theoretical dynamics studies with a particular focus on the partially isotopically substituted H + D₂O reaction system for which besides OH and OD radical formation channels also the hydrogen-atom abstraction channel has been investigated in detail recently using pulsed laser "pump-probe" methods.

Paper dedicated to Professor Jürgen Wolfrum on the occasion of his 60^th birthday

Proceedings of Indian National Science Academy (PINSA), Part A. 1999