Eur. Phys. J. D (2015) 69: 82
https://doi.org/10.1140/epjd/e2015-50487-y

Regular Article

Reactive scattering for H⁻ + HD and D⁻ + HD: classical trajectory investigation

¹ State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, P.R. China
² Theoretische Chemie, Universität Siegen, 57068 Siegen, Germany

^a e-mail: dequan_wang@jlu.edu.cn

Received: 2 July 2014
Received in final form: 26 August 2014
Published online: 19 March 2015

Abstract

A quasi-classical trajectory (QCT) method has been used to calculate reaction probabilities, integral reaction cross sections, and product branching ratios for D⁻ + HD and H⁻ + HD. Two high level potential energy surfaces (PESs) are used. The results indicate that the reaction cross sections for products DH + D⁻ (HD + H⁻) are high at low energies, but at higher energies, these reaction cross sections are low. This study might motivate experimentalists to study the H⁻ + HD and D⁻ + HD reactions.