Redetermination of [EuCl₂(H₂O)₆]Cl

Abstract

The crystal structure of the title compound, hexaaquadichloridoeuropium(III) chloride, was redetermined with modern crystallographic methods. In comparison with the previous study [Lepertet al.(1983).Aust. J. Chem.36, 477–482], it could be shown that the atomic coordinates of some O atoms had been confused and now were corrected. Moreover, it was possible to freely refine the positions of the H atoms and thus to improve the accurracy of the crystal structure. [EuCl2(H2O)6]Cl crystallizes with the GdCl3·6H2O structure-type, exhibiting discrete [EuCl2(H2O)6]+cations as the main building blocks. The main blocks are linked with isolated chloride anionsviaO—H...Cl hydrogen bonds into a three-dimensional framework. The Eu3+cation is located on a twofold rotation axis and is coordinated in the form of a Cl2O6square antiprism. One chloride anion coordinates directly to Eu3+, whereas the other chloride anion, situated on a twofold rotation axis, is hydrogen bonded to six octahedrally arranged water molecules.

Spectroscopic Study into Lanthanide Speciation in Deep Eutectic Solvents

“…Based on a literature survey, it seems that the fitted Ln–Cl distances for Nd and Eu correlate quite well with CN’s of six and five, respectively (Table S13). − This is much lower than the fitted CN of 10 for both lanthanides. Homoleptic Nd 3+ - and Eu 3+ -chloro complexes tend to be six-coordinate octahedra, with average Ln–Cl distances of 2.73 and 2.69 Å, respectively.…”

Rebuttal of the Existence of Solid Rare Earth Bicarbonates and the Crystal Structure of Holmium Nitrate Pentahydrate

“…The lower temperatures, in comparison to the experiment of Rohrbaugh and Jacobson , were chosen to avoid the thermal decomposition of the hydrogen carbonate. The yellow residue, analysed by powder XRD again, was holmium chloride hexahydrate, because the powder pattern fits to the reference of ErCl 3 · 6H 2 O, which crystallizes in the same structure type, with very similar cell parameters (Figure ) . This implies that the synthesis routes for holmium hydrogen carbonate hexahydrate are not reproducible.…”

“…The yellow residue, analysed by powder XRD again, was holmium chloride hexahydrate, because the powder pattern fits to the reference of ErCl 3 ·6H 2 O, which crystallizes in the same structure type, with very similar cell parameters ( Figure 4). [19][20][21] This implies that the synthesis routes for holmium hydrogen carbonate hexahydrate are not reproducible. The published crystal structure of Ho(HCO 3 ) 3 ·6H 2 O (ICSD Coll.…”

Europium complexes: choice of efficient synthetic routes from RM1 thermodynamic quantities as figures of merit

“…The reactant complex used in all starting reactions was the salt [EuCl 2 (H 2 O) 6 ]Cl. It is represented in this way because, from crystallographic data, 38 one chloride is simply a counter ion in the unit cell, and, therefore, not coordinated to the europium ion. So, in RM1 calculations, we considered both species, [EuCl 2 (H 2 O) 6 ] + and Cl À to be fully ionized in the ethanolic solution.…”

“…The keywords used in this next step were RM1 AUX FORCE THERMO XYZ. For the complexes with counter ions in their structures, such as, the precursor complexes of the type [EuCl 2 (L) 4 ]Cl, 38 we considered for the computational calculations only the species present in the coordination polyhedron, [EuCl 2 (L) 4 ] + , and the chloride ion, each as an isolated species. For these species, either one of the keywords CHARGE ¼ +1 or CHARGE ¼ À1, as appropriate, was used in the calculations.…”