Reactions in Anhydrous Liquid Ammonia : Syntheses and Crystal Structures of [M(NH3)8]I2 (M = Eu, Yb) with Bicapped Trigonal-Prismatic Octaammine Lanthanoid(II) Cations

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Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
2020-08-31
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Mcode
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Language
en
Pages
7
1396-1402
Series
Zeitschrift fur Anorganische und Allgemeine Chemie, Volume 646, issue 16
Abstract
The compounds [M(NH3)8]I2 (M = Eu, Yb) were obtained from reactions in anhydrous liquid ammonia solutions as side products. They were characterized by single-crystal X-ray diffraction and found to be isotypic to the compounds [Ca(NH3)8]X2 (X = Cl, Br, I). The coordination sphere of the lanthanoid(II) cations is not square-antiprismatic but much better described as bicapped trigonal-prismatic. In contrast, quantum-chemical gas-phase calculations show the square-antiprismatic coordination polyhedron (point group S8) to be energetically favored over the bicapped trigonal prism and the latter is not even a true local minimum. Obviously, hydrogen bonding and eventually other weak interactions have an impact on the observed bicapped trigonal-prismatic coordination sphere of the [M(NH3)8]2+ cations in the solid state.
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Keywords
Europium, Liquid ammonia, Quantum-chemical calculations, Structure elucidation, Ytterbium
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Citation
Rudel , S S , Graubner , T , Karttunen , A J & Kraus , F 2020 , ' Reactions in Anhydrous Liquid Ammonia : Syntheses and Crystal Structures of [M(NH3)8]I2 (M = Eu, Yb) with Bicapped Trigonal-Prismatic Octaammine Lanthanoid(II) Cations ' , Zeitschrift fur Anorganische und Allgemeine Chemie , vol. 646 , no. 16 , pp. 1396-1402 . https://doi.org/10.1002/zaac.202000181