Initial and final state effects in the ESCA spectra of cadmium and silver oxides

S. W. Gaarenstroom, N. Winograd

Research output: Contribution to journalArticlepeer-review

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The factors which influence chemical shifts are examined in order to elucidate the cause of the anomalous chemical shifts for Cd and Ag oxides. The effects of extra-atomic relaxation are accounted for using a procedure employing experimental Auger and binding energies. Atomic partial ionic charges for some simple Cd, Ag, and Zn compounds are calculated from experimental binding energies using a model which includes the effects of lattice potentials and extra-atomic relaxation. Inclusion of extra-atomic relaxation effects did not have a drastic effect on the relative ionicities computed for these selected compounds. However, for CdO, a large extra-atomic relaxation energy contribution reduces the binding energy by 0.5 eV more than is predicted from nearest neighbor electronegativity arguments.

Original languageEnglish (US)
Pages (from-to)3500-3506
Number of pages7
JournalThe Journal of chemical physics
Issue number8
StatePublished - 1977

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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