Communication: Photodissociation of N2O—Frustrated NN bond breaking causes diffuse vibrational structures
The photodissociation of N2O is studied by wave packet calculations using a global three-dimensional potential energy surface for the first excited A1′ state. It is shown that the weak vibrational structures of the absorption cross section are caused by large-amplitude NN stretch motion, combined wi...
Gespeichert in:
Veröffentlicht in: | The Journal of chemical physics 2010-09, Vol.133 (9) |
---|---|
Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
Zusammenfassung: | The photodissociation of N2O is studied by wave packet calculations using a global three-dimensional potential energy surface for the first excited A1′ state. It is shown that the weak vibrational structures of the absorption cross section are caused by large-amplitude NN stretch motion, combined with strong excitation of the bend as well as the O–NN stretch. Weakening of the NN bond toward the N+NO channel is the necessary prerequisite. |
---|---|
ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.3479391 |