Estimates of rates for dissociative recombination of NO${}_2^{+}$ + e${}^{-}$ via various mechanisms

Abstract

We estimate rates for the dissociative recombination (DR) of NO${}_2^{+}$ + e${}^{-}$. Although accurate excited state potential energy curves for the excited states of the neutral are not available, we estimate that the 1 ${}^2$Φ${}_g$ and the 1 ${}^2$Π${}_g$ 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 NO${}_2^{+}$ is insignificant compared to the direct rate.

Submitted to Phys Rev A

References in corpus (4)

• Indirect Dissociative Recombination of LiH${}^{+}$ Molecules Fueled by Complex Resonance Manifolds
• Competition among molecular fragmentation channels described with Siegert channel pseudostates
• Theory of dissociative recombination of highly-symmetric polyatomic ions
• ab initio frame transformation calculations of direct and indirect dissociative recombination rates of HeH+ + e-

Cited by in corpus (1)

• Dissociative recombination by frame transformation to Siegert pseudostates: A~comparison with a numerically solvable model