The electronic structure of carbon suboxide from ESCA and AB initio calculations |
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Authors: | U Gelius CJ AllanH Siegbahn K Siegbahn |
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Institution: | Institute of Physics, University of Uppsala, Uppsala, Sweden |
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Abstract: | The ESCA spectrum of C3O2 excited by Mg Kα radiation, 1253.6 eV, has been obtained for both gaseous and solid samples. The chemical shifts of the C1s and O1s levels have been used to calculate the gross atomic charges. The valence region of the spectrum has been recorded and the ordering of the orbitals has been decided on the basis of an ab initio calculation and the intensities of the observed peaks. An unusually intense shake-up spectrum has also been observed and is discussed. The relative spacing of the valence peaks has been found to be different for the solid and gas. |
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