Optical absorption and emission spectra of trivalent ytterbium in various chelates are reported. The experimental energy levels of Yb3+ are compared with predictions of electrostatic crystal-field theory and of a contact model of ligand-field theory. Good agreement is found between theory and experiment for the electrostatic crystal-field calculation. Poorer agreement is obtained using the ligand-field contact model calculation. The crystal-field calculation uses a single geometrical parameter θ. By using the calculations, x-ray results for other compounds, and the observed spectra, it is possible to obtain a reasonable estimate of the molecular geometry, which appears to be that of an octahedron distorted by shortening a threefold axis.
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Perkins et al. (1965) studied this question.
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