Ab initio MO calculations on the stability of the CF,PF, SF,and MoF ions with the F1s core hole |
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Authors: | A G Falaleyev V A Andreyev V I Vovna |
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Abstract: | For the CF, PF, SF, and MoF ions appearing after the F1s photoionization, the possibility of dissociation has been shown by the ab initio MO LCAO method within the Z + 1 core equivalent model. According to the calculations, the decay channel AF → AF + F(1s12p6) is energetically open for the ions. So the interpretation of the gas-phase emission FKα spectra, in which the bands are assigned to the discrete transition energies, can be unacceptable for these ions. The conditions and signs of such failure are discussed. |
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