Theoretical and Experimental Rate Constants for Two Isotopic Modifications of the Reaction H + H 2

Abstract

Theoretical rate constants for two isotopic modifications of the simplest possible chemical reaction, namely, H + D₂ → HD + D and D + H₂ → HD + H, are presented. Experimental results, which have previously been obtained in the higher temperature regime by a shock tube technique, are combined with lower temperature results to give an experimental determination of the rate behavior over the large temperature range ∼200 to 2000 K. It is now possible to assess the accuracy of ab initio potential energy surface calculations and to judge theoretical chemical kinetic methods.