Theoretical rate of dissociative recombination of HCO$^{+}$ and DCO$^{+}$ ions

Details Theoretical rate of dissociative recombination of HCO$^{+}$ and DCO$^{+}$ ions Theoretical rate of dissociative recombination of HCO$^{+}$ and DCO$^{+}$ ions

2008-04-29

arxiv.org/abs/0804.4642v1

Physics

Chemical Physics

4 pages, 3figures

Scientific paper

10.1103/PhysRevA.77.064703

The article presents an improved theoretical description of dissociative recombination of HCO$^+$ and DCO$^+$ ions with a low energy electron. In the previous theoretical study (Phys. Rev. A {\bf 74}, 032707) on HCO$^+$, the vibrational motion along the CO coordinate was neglected. Here, all vibrational degrees of freedom, including the CO stretch coordinate, are taken into account. The theoretical dissociative recombination cross-section obtained is similar to the previous theoretical result at low collision energies ($<$0.1 eV) but somewhat larger at higher ($>$0.1 eV) energies. Therefore, the present study suggests that motion along the CO coordinate does not play a significant role in the process at low collision energies. The theoretical cross-section is still approximately 2-3 times lower than the data from a recent merged-beam experiment.

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