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

Revue:
Physical Chemistry Chemical Physics

ISSN: 1463-9076

Année de publication: 2002

Volumen: 4

Número: 2

Pages: 288-294

Type: Article

beta Ver similares en nube de resultados
DOI: 10.1039/B107719H SCOPUS: 2-s2.0-0036155308 WoS: WOS:000173444900019 GOOGLE SCHOLAR

D'autres publications dans: Physical Chemistry Chemical Physics

Objectifs de Développement Durable

Résumé

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.