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.
|ジャーナル||Journal of Physics: Conference Series|
|出版ステータス||Published - 2010|
|イベント||International Workshop on Electronic Spectroscopy for Gas-phase Molecules and Solid Surfaces, IWES2009 - Matsushima, Japan|
継続期間: 2009 10 12 → 2009 10 15
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