Journal of the American Ceramic Society · 1985 · 13 citations · 8 references
Natural SciencesChemistryPhysicsAnalytical ChemistryInorganic ChemistrySpectroscopyAb Initio MethodsAtomic Emission SpectroscopyMolecular Orbital TheoryAtomic Energy Level ShiftsChemical Shift AnalysisEffective Charge StateGermanium ChemistryMolecular Orbital AnalysisX-ray ChemistryX-ray Emission Lines
The K α 1,2 lines emitted from Ge in germanium oxide compounds showed energy shifts (∼0.07 eV) resulting from changes in the coordination state of Ge. Based on the results of high‐resolution X‐ray fluorescence spectrometry and theoretical calculations using the molecular orbital theory (DV‐ X α method), it was confirmed that fourfold‐coordinated Ge emits lower energy Kα 1,2 lines than sixfold‐coordinated Ge. Theoretical calculations show that this shift is caused by a change in the effective charge of Ge due to the number of nearest‐neighbor atoms.
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Quantum theory of molecules and solids
W.J.T. · Journal of Molecular Structure · 1975 · 804 citations
Natural Sciences, Chemistry, Physics +12