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

Stefan S. Rudel, Tim Graubner, Antti J. Karttunen, Florian Kraus*

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

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.

Original languageEnglish
JournalZeitschrift fur Anorganische und Allgemeine Chemie
Early online date10 Jun 2020
DOIs
Publication statusE-pub ahead of print - 10 Jun 2020
MoE publication typeA1 Journal article-refereed

Keywords

  • Europium
  • Liquid ammonia
  • Quantum-chemical calculations
  • Structure elucidation
  • Ytterbium

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