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- Title
Structure and Energetics of <MATH>\beta</MATH>-Diketonates. XII. Structure of Lanthanide tris-Dipivaloylmethanates for Er(thd)<sub>3</sub> Used as an Example.
- Authors
Giricheva, N. I.; Belova, N. V.; Girichev, G. V.; Tverdova, N. V.; Shlykov, S. A.; Kuzmina, N. P.; Zaitseva, I. G.
- 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 <MATH>C_3</MATH> and <MATH>D_3</MATH> symmetry), for which <MATH>r_a</MATH>, <MATH>r_g</MATH>, and <MATH>r_{\alpha}</MATH> structural parameters have been determined. <MATH>D_3</MATH> symmetry is recognized to be preferable for free Er(thd)3 molecules. The main structural parameters of the model are <MATH>r_{\alpha} ({\rm Er}-{\rm O})</MATH> 2.218(5), <MATH>r_{\alpha} ({\rm O}-{\rm C})</MATH> 1.279(5), <MATH>r_{\alpha} ({\rm C}-{\rm C}_r)</MATH> 1.404(6), <MATH>r_{\alpha} ({\rm C}-{\rm C}_t)</MATH> 1.512(3), <MATH>r_{\alpha} ({\rm C}_t -{\rm C}_m)</MATH> 1.542(5), <MATH>r_{\alpha} ({\rm C}_m-{\rm H})</MATH> 1.804(4) Å, ∠OErO 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.
- Subjects
ELECTRON diffraction; RARE earth metals; COMPLEX compounds; CHEMICAL structure; MOLECULAR structure; PHYSICAL &; theoretical chemistry
- Publication
Journal of Structural Chemistry, 2003, Vol 44, Issue 5, p771
- ISSN
0022-4766
- Publication type
Article
- DOI
10.1023/B:JORY.0000029813.72652.62