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Structure and Energetics of β-Diketonates. XII. Structure of Lanthanide tris-Dipivaloylmethanates for Er(thd)3 Used as an Example

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Abstract

A simultaneous electron diffraction and mass spectroscopic study of saturated vapors of erbium tris-dipivalylmethanate has revealed that at 136(5)°C, the vapor consists solely of Er(thd)3 molecules. Electron diffraction data may be described by two alternative models (of C_3 and D_3 symmetry), for which ra, rg, and rα structural parameters have been determined. D3 symmetry is recognized to be preferable for free Er(thd)3 molecules. The main structural parameters of the model are rα (Er − O) 2.218(5), rα (O − C) 1.279(5), rα (C − Cr) 1.404(6), rα (C − Ct) 1.512(3), rα(Ct − Cm) 1.542(5), rα (rm Cm− H) 1.804(4) Å, The ErO 75.0(0.4)°. The ErO6 coordination polyhedron has a structure close to an antiprism. A rotational angle of the O–O–O trigonal face relative to the position in a regular prism is 20.7(0.8)°. Possible reasons for the differences in the structure of Er(thd)3 molecules in the gas phase and crystal are discussed.

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Authors and Affiliations

  1. Ivanovo State University, Russia

    N. I. Giricheva

  2. Ivanovo State Chemical Technological University, Russia

    N. V. Belova, G. V. Girichev, N. V. Tverdova & S. A. Shlykov

  3. M. V. Lomonosov Moscow State University, Russia

    N. P. Kuzmina & I. G. Zaitseva

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  1. N. I. Giricheva
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  2. N. V. Belova
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  3. G. V. Girichev
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  4. N. V. Tverdova
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  5. S. A. Shlykov
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  6. N. P. Kuzmina
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  7. I. G. Zaitseva
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Giricheva, N.I., Belova, N.V., Girichev, G.V. et al. Structure and Energetics of β-Diketonates. XII. Structure of Lanthanide tris-Dipivaloylmethanates for Er(thd)3 Used as an Example. Journal of Structural Chemistry 44, 771–778 (2003). https://doi.org/10.1023/B:JORY.0000029813.72652.62

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