Communication: Photodissociation of N2O-Frustrated NN bond breaking causes diffuse vibrational structures
Abstract
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.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- September 2010
- DOI:
- 10.1063/1.3479391
- Bibcode:
- 2010JChPh.133i1103S
- Keywords:
-
- bonds (chemical);
- excited states;
- molecule-photon collisions;
- nitrogen compounds;
- photodissociation;
- potential energy surfaces;
- vibrational states;
- 33.80.Gj;
- 31.50.Df;
- 33.15.Mt;
- Diffuse spectra;
- predissociation photodissociation;
- Potential energy surfaces for excited electronic states;
- Rotation vibration and vibration-rotation constants