Structural Evolution in the RE(OAc)(3) center dot 2AcOH Structure Type. A Non-Linear, One-Dimensional Coordination Polymer with Unequal Interatomic Rare Earth Distances

Autor(en): Haase, Markus 
Rissiek, Philipp
Gather-Steckhan, Marianne
Henkel, Felix
Reuter, Hans 
Stichwörter: acetic acid solvates; COMPLEXES; CONTRACTION; coordination modes; coordination polymer; CRYSTAL-STRUCTURE; Crystallography; hydrogen bonding; LA; lanthanide contraction; LU; Materials Science; Materials Science, Multidisciplinary; MOLECULES; rare earth triacetates; regression analysis; rod stacking; SAMARIUM(III); STEREOCHEMISTRY; X-RAY
Erscheinungsdatum: 2021
Herausgeber: MDPI
Volumen: 11
Ausgabe: 7
The existing range of the centrosymmetric, triclinic RE(OAc)(3) center dot 2AcOH structure type has been extended for RE = Eu and Gd while the structure data of the Nd- and Sm-compounds have been revised and corrected, respectively, using low temperature (T = 100 K), well resolved (2 theta(max) = 56 degrees), highly redundant SCXRD data in order to evaluate the structural evolution within this class of acetic acid solvates by statistical methods. Within the nine-fold mono-capped square-antiprismatic coordination spheres of the RE3+ ions, RE-O distances decrease as a result of lanthanide contraction; some with different rates depending on the coordination modes (2.11/2.21) of the acetate ions. The experimental data show that the internal structural parameters of the acetate ions also correlate with their coordination modes. Both acetic acid molecules act as hydrogen bond donors but only one as monodentate ligand. The geometries of the hydrogen bonds reveal that they are strongly influenced by the size of the rare earth atom. The non-linear, one-dimensional coordination polymer propagates with unequal RE center dot center dot center dot RE distances along the a-axis. Rods of the coordination polymer are arranged in layers congruently stacked above each other with the hydrogen bonded acetic acid molecules as filler in between. In most cases, data fitting is best described in terms of a quadratic rather than a linear regression analysis.
DOI: 10.3390/cryst11070768

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