Quasi-classical trajectory approach to the O(1D)+HBr )OH+Br reaction stereo-dynamics on X1A' potential energy surface

The vector properties of reaction O(1D)+HBr→OH+Br on the potential energy surface (PES) of X1A' ground singlet state are studied by using the quasi-classical trajectory (QCT) theory. The polarization-dependent differential cross sections (PDDCSs), the average rotational alignment factor (P 2 (j'- k)...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:中国物理:英文版 2011, Vol.20 (12), p.210-216
1. Verfasser: 李红 郑斌 尹吉庆 孟庆田
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:The vector properties of reaction O(1D)+HBr→OH+Br on the potential energy surface (PES) of X1A' ground singlet state are studied by using the quasi-classical trajectory (QCT) theory. The polarization-dependent differential cross sections (PDDCSs), the average rotational alignment factor (P 2 (j'- k)〉, as well as the distributions reflecting vector correlations are also computed. The analysis of the results shows that the alignment and the orientation distribution of the rotation angular momentum vector of product molecule OH is influenced by both the effect of heavy-light heavy (HLH) type mass combination and the deep well of PES.
ISSN:1674-1056
2058-3834