Time dependent quantum dynamics study of the Ne+ + H2(v=0-4) -> NeH+ + H proton transfer reaction

  1. Mayneris, J. 1
  2. Sierra, J.D. 2
  3. González, M. 1
  1. 1 Universitat de Barcelona
    info

    Universitat de Barcelona

    Barcelona, España

    ROR https://ror.org/021018s57

  2. 2 Universidad de La Rioja
    info

    Universidad de La Rioja

    Logroño, España

    ROR https://ror.org/0553yr311

Revista:
Journal of Chemical Physics

ISSN: 0021-9606

Año de publicación: 2008

Volumen: 128

Número: 19

Páginas: 1943071-1943078

Tipo: Artículo

DOI: 10.1063/1.2917253 SCOPUS: 2-s2.0-44349117301 WoS: WOS:000256205200020 GOOGLE SCHOLAR

Otras publicaciones en: Journal of Chemical Physics

Resumen

The Ne+ H2+ →Ne H+ +H proton transfer reaction was studied using the time dependent real wave packet quantum dynamics method at the helicity decoupling level, considering the H2+ molecular ion in the (v=0-4, j=0) vibrorotational states and a wide collision energy interval. The calculated reaction probabilities and reaction cross sections were in a rather good agreement with reanalyzed previous exact quantum dynamics results, where a much smaller collision energy interval was considered. Also, a quite good agreement with experimental data was found. These results suggested the adequacy of the approach used here to describe this and related systems. © 2008 American Institute of Physics.