Quantum-Tunneling Isotope-Exchange Reaction H2+ D-→Hd+ H-

Abstract

The tunneling reaction H2+D-→HD+H- was studied in a recent experimental work at low temperatures (10, 19, and 23 K) by Endres et al. [Phys. Rev. A 95, 022706 (2017)2469-992610.1103/PhysRevA.95.022706]. An upper limit of the rate coefficient was found to be about 10-18cm3/s. In the present study, reaction probabilities are determined using the ABC program developed by Skouteris et al. [Comput. Phys. Commun. 133, 128 (2000)CPHCBZ0010-465510.1016/S0010-4655(00)00167-3]. The probabilities for ortho-H2 and para-H2 in their ground rovibrational states are obtained numerically at collision energies above 50 meV with the total angular momentum J=0-15 and extrapolated below 50 meV using a WKB approach. Thermally averaged rate coefficients for ortho- and para-H2 are obtained; the largest one, for ortho-H2, is about 3.1×10-20cm3/s, which agrees with the experimental results.

Publication Date

2-20-2018

Publication Title

Physical Review A

Volume

97

Issue

2

Document Type

Article

Personal Identifier

scopus

DOI Link

https://doi.org/10.1103/PhysRevA.97.022705

Socpus ID

85042230178 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/85042230178

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