Literature DB >> 23517314

Potential curves for the dissociative recombination of CO+.

Steven L Guberman1.   

Abstract

Large scale ab initio calculations are reported for the diabatic (3)Π, (1)Π, (1)Σ(+), (1)Δ, (3)Σ(+), and (3)Δ valence states of CO that provide routes for the dissociative recombination of the ground electronic and vibrational state of CO(+). The most important routes are 2(3)Π, 3(3)Π, 2(1)Π, and D'(1)Σ(+). For electron energies below 0.2961 eV, from the v = 0 ion level, the first two states can generate excited atoms, O((1)D) and C((1)D), but the last two states yield only ground state atoms. From v = 0, hot ground state atoms are generated at 0 eV from each of the four states with C and O having 1.67 and 1.25 eV of kinetic energy, respectively. The potential curves are compared to prior calculations and experiments.

Entities:  

Year:  2013        PMID: 23517314     DOI: 10.1021/jp312359c

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN: 1089-5639            Impact factor:   2.781


  1 in total

1.  Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing.

Authors:  Rafael C Couto; Marco Guarise; Alessandro Nicolaou; Nicolas Jaouen; Gheorghe S Chiuzbăian; Jan Lüning; Victor Ekholm; Jan-Erik Rubensson; Conny Såthe; Franz Hennies; Victor Kimberg; Freddy F Guimarães; Hans Agren; Faris Gel'mukhanov; Loïc Journel; Marc Simon
Journal:  Sci Rep       Date:  2016-02-10       Impact factor: 4.379

  1 in total

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