The dynamics of the O(1D) + N2O --> NO + NO reaction revisited. A QCT study on model potential energy surfaces
- González, M. 1
- Troya, D. 2
- Puyuelo, M.P. 2
- Sayós, R. 1
- Enríquez, P.A. 2
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1
Universitat de Barcelona
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2
Universidad de La Rioja
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ISSN: 0009-2614
Año de publicación: 1999
Volumen: 300
Número: 5
Páginas: 603-612
Tipo: Artículo
beta Ver similares en nube de resultadosOtras publicaciones en: Chemical Physics Letters
Resumen
The dynamics of the O(1D)+N2O→NO+NO reaction has been studied using the quasiclassical trajectory (QCT) method on three different triatomic LEPS (London-Eyring-Polanyi-Sato) potential energy surfaces (PES) model. The NO present in the target N2O molecule has been treated as an atom of 30.0 a.m.u. On the basis of the experimental vibrational distributions and QCT results it is suggested that the NO(v′=16, 17)+NO(v′=0) state-specific reaction channel is not majoritary. However, is about this channel that most of the reaction dynamics information is available. A quite good description of the dynamics of this specific channel has been obtained. We have also shown that for a very exoergic reaction without a strong kinematic constraint, like the one under consideration, the j′=αl angular momenta correlation, with α being a constant, can occur if the PES has no barrier or a negligible one along the minimum energy path and is highly isotropic.