Crystal-Field Splitting in Yb3+ Chelates

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Abstract
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.