Dissociation of Gaseous Diatomic Molecules. II. Effect of Anharmonicities
- 15 November 1962
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 37 (10) , 2240-2246
- https://doi.org/10.1063/1.1732992
Abstract
The classical adiabatic calculation of the rate of dissociation of diatomic molecules is extended to Morse potential oscillators in one‐dimensional colinear collisions. The limits of error of the method are formulated and numerical calculations of the rates of dissociation of H2 in Xe and I2 in Ar are made assuming both the Morse and harmonic potentials. The harmonic results are in good agreement with experiment. Estimates of the errors involved show that the anharmonic results are not as reliable as the harmonic results. The distribution functions for a strongly interacting harmonic oscillator are also calculated.Keywords
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