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...

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Veröffentlicht in:The Journal of chemical physics 2010-09, Vol.133 (9)
Hauptverfasser: Schinke, R., Suarez, J., Farantos, S. C.
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
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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