Estimates of rates for dissociative recombination of NO2+ + e via various mechanisms

Daniel J. Haxton and Chris H. Greene
Phys. Rev. A 86, 062712 – Published 26 December 2012

Abstract

We estimate rates for the dissociative recombination (DR) of NO2+ + e. Although accurate excited-state potential-energy curves for the excited states of the neutral are not available, we estimate that the 1 2Φg and the 1 2Πg states of the neutral may intersect the ground-state cation potential-energy surface near its equilibrium geometry. Using fixed nuclei scattering calculations, we estimate the rate for direct DR via these states and find it to be significant. We also perform approximate calculations of DR triggered by the indirect mechanism, which suggest that the indirect DR rate for NO2 is insignificant compared to the direct rate.

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  • Received 27 August 2012

DOI:https://doi.org/10.1103/PhysRevA.86.062712

©2012 American Physical Society

Authors & Affiliations

Daniel J. Haxton1 and Chris H. Greene2

  • 1Lawrence Berkeley National Laboratory, Chemical Sciences, Berkeley, California 94720, USA
  • 2Department of Physics, Purdue University, West Lafayette, Indiana 47907, USA

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Issue

Vol. 86, Iss. 6 — December 2012

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