Japanese Journal of Applied Physics · 1978 · 19 citations · 9 references
Natural SciencesChemistryMaterials ScienceCrystal StructureInorganic ChemistrySpectroscopyAtomic Absorption SpectroscopyInorganic SpectroscopyMolecular Orbital TheoryTransition Metal ComplexesX-ray CrystallographyX-ray SpectroscopyElectronic Spectra Of Transition Metal ComplexesElectronic Structure Of Metal ComplexesEnergy AbsorptionHigh-resolution X-ray SpectroscopyMolecular Orbital AnalysisX-ray Absorption Near Edge StructureX-ray Absorption SpectroscopyX-ray Chemical Shift Analysis
The X-ray Fe K absorption edge structures of octahedrally coordinated [Fe(CN)6]4- and [Fe(CN)6]3- complex ions have been accurately measured with a high-resolution two-crystal spectrometer. These two hexacyanides have similar low energy absorption in the main absorption edges. The low energy absorption may be principally attributed to the transition of the Fe 1s electron into the 4t1u antibonding orbital constructed mainly from the π* orbitals of (CN)- ligands. The similarity in shifts of the main absorption peaks of both hexacyanides is understood on the basis of Shulman and Sugano's molecular orbital analysis involving backdonation.
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