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Insights into Potassium 18‐Crown‐6 Complexes with Pertechnetate and Perrhenate: A Structural and Computational Study of their Coordination Chemistry

2025/09/04 by Clarence Yong, Julian Heinen, Dennis Grödler +3 · 1 voice
Chemistry · Environmental Science · #Chemical Synthesis and Characterization #Crystallography and molecular interactions #Metal-Organic Frameworks: Synthesis and Applications

paper · pdf · doi:10.1002/zaac.202500139

openalex publication_date 2025/09/04 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/23

Abstract

The synthesis, crystal structures, and characterization of potassium 18‐crown‐6 complexes with tetrahedral oxoanions, [K(18‐crown‐6)][XO 4 ] (X = Tc, Re), are reported. X‐ray diffraction analysis shows that KO interactions between the potassium ion and the OTcO 3 − or OReO 3 − groups extend the discrete molecular units into 1D supramolecular assemblies. Additionally, CH···O interactions between the methylene groups of 18‐crown‐6 and the oxoanions contribute to the stabilization of the solid‐state structures. These assemblies and the strengths of their interactions were further analyzed using density functional theory calculations, including molecular electrostatic potential (ESP) surfaces and the quantum theory of atoms in molecules (QTAIM). The stability of the KO interactions supports the potential of crown ethers for selective extraction of pertechnetate species from nuclear waste.

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