Bulletin of the Chemical Society of Japan · 1972 · 32 citations · 13 references
Natural SciencesChemistryPhysicsComputational ChemistrySpectroscopic AnalysisSpectroscopyAb Initio MethodsCrystallographyFine StructureHyperfine StructureMolecular StructureStructure DeterminationFine-structure SplittingHyperfine SpectroscopyHyperfine Structure AnalysisHyperfine Structure In Magnetic FieldsHyperfine Structure MeasurementsPerpendicular LinesPrincipal AxesSpectral Line Shape Analysis
Abstract It has been concluded, from computer simulations of the observed ESR line shapes, that the dimeric structure of bis- (N-salicylidenemethylaminato)copper(II) in a frozen toluene solution is similar to that in its γ-form crystals. Furthermore, the difference between the hyperfine splittings observed at both edges of the triplet spectra for ΔM=1, the large frequency dependence of the fine-structure splitting, and the additional hyperfine structures observed in the field range between the so-called low-field parallel and perpendicular lines have been found to be due to the noncoincidence of the principal axes of the g tensor with those of the fine-structure tensor.
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