Abstract
The H + D(v = 0,1 and 2) charge transfer reaction is studied using an accurate wave packet method, using recently proposed coupled diabatic potential energy surfaces. The state-to-state cross section is obtained for three different channels: non-reactive charge transfer, reactive charge transfer, and exchange reaction. The three processes proceed via the electronic transition from the first excited to the ground electronic state. The cross section for the three processes increases with the initial vibrational excitation. The non-reactive charge transfer process is the dominant channel, whose branching ratio increases with collision energy, and it compares well with experimental measurements at collision energies around 0.5 eV. For lower energies the experimental cross section is considerably higher, suggesting that it corresponds to higher vibrational excitation of D(v) reactants. Further experimental studies of this reaction and isotopic variants are needed, where conditions are controlled to obtain a better analysis of the vibrational effects of the D reagents.
Highlights
H2 is the most abundant molecule in the interstellar medium
The dynamics is dominated by the electronic transition from the excited to the ground electronic state, where the reaction takes place in the deep insertion well of H+3
The charge transfer electronic transition is dominated by the crossing of the two D2/D+2 occurring at rather large distance between reactants, where it can take place between close lying vibrational states
Summary
H2 is the most abundant molecule in the interstellar medium. The gas phase routes to form molecular hydrogen present very slow rate constants, and its formation in local galaxies is attributed to reactions on cosmic grains and ices[1, 2]. In environments where grains and ice do not exist, like in the Early Universe, one key process is the formation of H2 in gas phase. One of such processes is the charge transfer. 10 keV/u, including energies more relevant for the astrophysical environment. The main goal of this work is to compare the simulated cross sections experimental measurements. In this line, for the each D+2 (v) vibrational state with measurements made in the H +
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