Physical Review Letters · 2005 · 41 citations · 16 references
Natural SciencesChemistryPhysicsComputational ChemistryQuantum ChemistrySpectroscopyAb Initio MethodsCarbon MonoxideMolecular SymmetryPhotoelectron SpectroscopyVibrational SpectroscopyVibrational StructureAb Initio CalculationsAb Initio Molecular CalculationsAngle-resolved Photoelectron SpectroscopyFranck-condon AnalysisPotential Energy CurvesVibrational AnalysisVibrational Band StructureVibrational Symmetry
We have carried out angle-resolved measurement for the C $1s$ photoelectron shakeup satellites of gaseous CO molecules, at unprecedented energy resolution, and resolved the vibrational structures for one $^{2}\ensuremath{\Sigma}^{+}$ and two $^{2}\ensuremath{\Pi}$ bands. The present ab initio calculations for the potential curves of these shakeup satellite states and the relevant Franck-Condon analysis well reproduce the vibrational structures of these bands and confirm the assignments.
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