Photodissociation of N2O: potential energy surfaces and absorption spectrum.

@article{Schinke2011PhotodissociationON,
  title={Photodissociation of N2O: potential energy surfaces and absorption spectrum.},
  author={R. Schinke},
  journal={The Journal of chemical physics},
  year={2011},
  volume={134 6},
  pages={064313}
}
The ultraviolet photodissociation of N(2)O is studied by wave packet calculations using global three-dimensional potential energy surfaces for the two lowest (1)A' states. The incorporation of all internal degrees of freedom in the dynamics calculations is essential for a realistic treatment. The room-temperature absorption cross section is well reproduced, including the weak vibrational structures. Classical periodic orbits show that the latter can be attributed to large-amplitude NN stretch… CONTINUE READING