Statistical Theory of Low-Energy Reactive Collisions of N(+) Ions with H2, D2, and HD Molecules

Tasko P Grozdanov; Ronald McCarroll

doi:10.1021/jp511466g

Statistical Theory of Low-Energy Reactive Collisions of N(+) Ions with H2, D2, and HD Molecules

J Phys Chem A. 2015 Jun 11;119(23):5988-94. doi: 10.1021/jp511466g. Epub 2015 Feb 6.

Authors

Tasko P Grozdanov¹, Ronald McCarroll²

Affiliations

¹ †Institute of Physics, University of Belgrade, Pregrevica 118, 11080 Belgrade, Serbia.
² ‡Laboratoire de Chimie Physique-Matière et Rayonnement, (UMR 7614 du CNRS) Université Pierre et Marie Curie, 75231 Paris Cedex 05, France.

PMID: 25611125
DOI: 10.1021/jp511466g

Abstract

A statistical treatment is presented of reactive collisions involving N(+) ions in the (3)Pja state with H2, D2, and HD molecules in rotation level j of the ground vibration state, leading to either the reaction products H + NH(+), D + ND(+), and D + NH(+) or H + ND(+). Unlike previous theoretical work, the fine-structure states of the N(+) ions are treated on an equal footing with other internal motions. The calculated cross sections for a given ion energy are averaged over a thermal distribution of initial fine-structure states of N(+) for a temperature of 300 K and over a thermal distribution of both the internal rotation states and translation energy of H2, D2, and HD for temperatures of 305 and 105 K in order to facilitate a comparison with experiment. The results are presented for a range of collision energies from 10 meV to 1 eV.