Mean Potential Statistical Theory of the H+ + D2 → HD + D+ Reaction
- 25 April 2011
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 115 (25), 6872-6877
- https://doi.org/10.1021/jp1115228
Abstract
The reactive collision process H(+) + D(2)(ν = 0, j = 0) → HD + D(+) is theoretically analyzed for collision energies ranging from threshold up to 1.3 eV. It is assumed that the reaction takes place via formation of a collision complex. In calculations, a statistical theory is used, based on a mean isotropic potential deduced from a full potential energy surface. Calculated integral cross sections, opacity functions, and rotational distributions of the HD products are compared with recent statistical and quantum mechanical calculations performed using a full potential energy surface. Satisfactory agreement between the results obtained using the two statistical methods is found, both of which however overestimate the existing quantum mechanical predictions. The effects due to the presence of identical particles are also discussed.Keywords
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