Influence of collision energy on the dynamics of the reaction O(1D) + CH4(X1A1) --> OH(X2Pi) + CH3(X2A2")

  1. Sayós, R. 1
  2. Hernando, J. 1
  3. Puyuelo, M.P. 2
  4. Enríquez, P.A. 2
  5. 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:
Physical Chemistry Chemical Physics

ISSN: 1463-9076

Año de publicación: 2002

Volumen: 4

Número: 2

Páginas: 288-294

Tipo: Artículo

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DOI: 10.1039/B107719H SCOPUS: 2-s2.0-0036155308 WoS: WOS:000173444900019 GOOGLE SCHOLAR

Otras publicaciones en: Physical Chemistry Chemical Physics

Objetivos de desarrollo sostenible

Resumen

We studied the effects of collision energy (E T) on the dynamics of the title reaction using the quasiclassical trajectory method on an analytical triatomic potential energy surface that we had derived for this system. We compared the dependence of the scalar and two-vector properties of the reaction on E T with experimental data and obtained a quite good agreement. The results can be explained in terms of the coexistence of two microscopic reaction mechanisms: insertion and abstraction. The former mechanism is the most important one, although the contribution of the latter increases with E T.