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). An upper limit of the rate coefficient was found to be about 10-18 cm3/s. In the present study, reaction probabilities are determined using the ABC program developed by Skouteris et al., Comput. Phys. Commun. 133, 128 (2000). 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 3.1×10-20 cm3/s, which agrees with the experimental results.
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