Formation of HDO, , and in low-energy HD collisions
Phys. Rev. A 113, 042807 – Published 8 April, 2026
DOI: https://doi.org/10.1103/jwhb-rlkj
Abstract
This paper presents a combined theoretical and experimental study of the collisions between oxygen anions and HD molecules. The thermal rate coefficients for associative electron detachment (HDO molecule formation), hydrogen transfer ( ion formation), and deuterium transfer ( ion formation) were measured at temperatures between 10 and 200 K in a radio-frequency ion trap. The experimental data are compared with theoretical reaction rate coefficients, which were computed over a temperature range of 10–4000 K using the classical-trajectory Monte Carlo method on an ab initio calculated potential energy surface. The thermal rate coefficients for reactions with other deuterated or tritiated variants of the molecule were also calculated. We analyze the results in terms of cross sections and the dependence of reaction and detachment probabilities on the impact parameter. Additionally, we demonstrate that the scattering dynamics for this system exhibits signatures of deterministic chaos at the classical level.