Ab initio study of the dissociative recombination of HCNH

Dissociative recombination of protonated hydrogen cyanide HCNH+ is a very important process in dark interstellar molecular clouds. The dominant mechanism that drives this process, either direct through a resonance, or indirect through Rydbergs is currently an issue of controversy. Only qualitative c...

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Bibliographic Details
Published in:Journal of physics. Conference series 2005-01, Vol.4 (1), p.224-228
Main Authors: Ngassam, V, Orel, A E, Suzor-Weiner, A
Format: Article
Language:English
Subjects:
Cyanide process
Hydrogen cyanide
Interstellar chemistry
Molecular clouds
Physics
Resonance scattering
Wave functions
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Summary:Dissociative recombination of protonated hydrogen cyanide HCNH+ is a very important process in dark interstellar molecular clouds. The dominant mechanism that drives this process, either direct through a resonance, or indirect through Rydbergs is currently an issue of controversy. Only qualitative conclusions for the branching ratio between the HCN and HNC fragments is available. We will report ab initio electron scattering calculations using the complex Kohn variational method for low energy electron scattering from HCNH+ using a correlated wave function for the target. Resonance energies and widths were abstracted and their behavior as a function of the internuclear geometry is studied.
ISSN:1742-6596
1742-6588
1742-6596
DOI:10.1088/1742-6596/4/1/032