Quantum mechanical study of the high-temperature ${\mathrm{H}}^{+}+\mathrm{HD}\to {\mathrm{D}}^{+}+{\mathrm{H}}_2$ reaction for the primordial universe chemistry

Abstract

We use the time-independent quantum-mechanical formulation of reactive collisions in order to investigate the state-to-state ${\mathrm{H}}^{+}+\mathrm{HD}\to {\mathrm{D}}^{+}+{\mathrm{H}}_2$ chemical reaction. We compute cross sections for collision energies up to 1.8 electron-volts and rate coefficients for temperatures up to 10000 kelvin. We consider HD in the lowest vibrational level $v=0$ and rotational levels $j=0$ to 4, and H${}_2$ in vibrational levels $v^{\prime }=0$ to 3 and rotational levels $j^{\prime }=0$ to 9. For temperatures below 4000 kelvin, the rate coefficients strongly vary with the initial rotational level $j$, depending on whether the reaction is endothermic ($j\le 2$) or exothermic ($j\ge 3$). The reaction is also found less and less probable as the final vibrational quantum number $v^{\prime }$ increases. Our results illustrate the importance of studying state-to-state reactions, in the context of the chemistry of the primordial universe.

7 pages, 9 figures

References in corpus (7)

• The Dawn of Chemistry
• Vibrational level population of H${}_2$ and H${}_2^{+}$ in the early Universe
• Deuterium chemistry in the primordial gas
• The role of HD cooling in primordial star formation
• Non-thermal photons and H2 formation in the early Universe
• State-to-state vibrational kinetics of H${}_2$ and H${}_2^{+}$ in a post-shock cooling gas with primordial composition
• The low temperature D${}^{+}$ + H${}_2$ $\to$ HD + H${}^{+}$ reaction rate coefficient: a ring polymer molecular dynamics and quasi-classical trajectory study

Cited by in corpus (2)

• Benchmarking an improved statistical adiabatic channel model for competing inelastic and reactive processes
• PDRs4All XVII: Formation and excitation of HD in photodissociation regions. Application to the Orion Bar