Vibratinal spectra and geometry relaxation in the core-electron processes of N2O and CO2 have been studied by the high-resolution photoelectron spectroscopy and accurate ab initio calculations. We calculated reliable two dimensional potential energy surfaces of the core-hole states of N2O and CO2 and performed the vibrational analysis based on these surfaces. We also investigated the geometry changes in the π* and σ* core-excited states. Theory reproduced the details of the high-resolution spectra providing quantitative assignments and interpretations.
|Journal||Journal of Physics: Conference Series|
|Publication status||Published - 2010|
|Event||International Workshop on Electronic Spectroscopy for Gas-phase Molecules and Solid Surfaces, IWES2009 - Matsushima, Japan|
Duration: 2009 Oct 12 → 2009 Oct 15
ASJC Scopus subject areas
- Physics and Astronomy(all)