Crystal structure and absorption spectroscopy of Ln(HF2CCOO)3·3H2O(Ln=Pr,Er) single crystals.
Journal of Molecular Structure
Crystal structures of Ln(HF2CCOO)3·3H2O (Ln=Pr, Er) compounds were determined by X-ray analysis. Both crystals proved to be isomorphous. They are triclinic, space group with α=66.60(2)°, β=79.34(2)°, γ=77.74(2)° and Z=2 for the Pr compound and α=66.90(2)°, β=79.34(2)°, γ=77.80(2)° and Z=2 for the Er one. The Ln(III) ion adopts an 8-coordinate geometry with six oxygen atoms from carboxylate groups and two oxygen atoms from water molecules, which is best described as the best slightly deformed square antiprism. Absorption spectra of the Pr(HF2CCOO)3·3H2O single crystal were measured at room and low temperatures. Intensities of the f–f transitions were analysed on the basis of the Judd–Ofelt theory. The results for the praseodymium difluoroacetate single crystals are compared to those for the lanthanide trifluoroacetates monocrystals. Vibronic mechanism of 4f–4f transitions is discussed.
Crystal structure, Electronic spectra, Lanthanide difluoroacetate complexes, Vibronic mechanism
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