The photoelectron shake-up satellite spectra that accompany the and main lines of carbon monoxide have been studied by a combination of high-resolution x-ray photoelectron spectroscopy and accurate ab initio calculations. The symmetry-adapted cluster-expansion configuration-interaction general- method satisfactorily reproduces the satellite spectra over a wide energy region, and the quantitative assignments are proposed for the 16 and 12 satellite bands for and spectra, respectively. Satellite peaks above the transitions are mainly assigned to the Rydberg excitations accompanying the inner-shell ionization. Many shake-up states, which interact strongly with three-electron processes such as and , are calculated in the low-energy region, while the continuous Rydberg excitations are obtained with small intensities in the higher-energy region. The vibrational structures of low-lying shake-up states have been examined for both and ionizations. The vibrational structures appear in the low-lying satellite states, and the symmetry-dependent angular distributions for the satellite emission have enabled the and symmetries to be resolved. On the other hand, the potential curves of the low-lying shake-up states are predicted to be weakly bound or repulsive.
and photoelectron satellite spectra of CO with symmetry-dependent vibrational excitations
Also at Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto 606-8103, Japan. Electronic mail: email@example.com
M. Ehara, K. Kuramoto, H. Nakatsuji, M. Hoshino, T. Tanaka, M. Kitajima, H. Tanaka, A. De Fanis, Y. Tamenori, K. Ueda; and photoelectron satellite spectra of CO with symmetry-dependent vibrational excitations. J. Chem. Phys. 21 September 2006; 125 (11): 114304. https://doi.org/10.1063/1.2346683
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