Startseite Crystal structure of a hexacationic Ag(I)-pillarplex-dodecyl-diammonium pseudo-rotaxane as terephthalate salt
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Crystal structure of a hexacationic Ag(I)-pillarplex-dodecyl-diammonium pseudo-rotaxane as terephthalate salt

  • Alexandra A. Heidecker EMAIL logo , Moritz Bohn und Alexander Pöthig EMAIL logo
Veröffentlicht/Copyright: 23. Februar 2022
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Zeitschrift für Kristallographie - Crystalline Materials
Aus der Zeitschrift Zeitschrift für Kristallographie - Crystalline Materials Band 237 Heft 4-5

Abstract

A new pseudo-rotaxane, consisting of a tubular, organometallic Ag-pillarplex ring and dodecyldiammonium axle component, is introduced and investigated towards potential non-covalent interactions by Full Interaction Maps (FIMs). FIMs predict regions of probable supramolecular interactions solely at the organic ligands, namely the rim and the aromatic rings of the pillarplex. The results were compared to structural parameters experimentally obtained by single-crystal X-ray diffraction. The pseudo-rotaxane was crystallized as a hydrated terephthalate salt, and the molecular and the crystal structure are discussed. The experimentally observed interactions are quantified using Hirshfeld surface analysis. In contrast to the FIMs prediction, four different interaction modes can be experimentally observed in the solid-state: encapsulation of a guest molecule, hydrogen bonding, π- and metal interactions.

Keywords: crystal structure; full interaction maps; Hirshfeld surface analysis; non-covalent interactions; organometallic; single crystal X-ray diffraction; supramolecular; supramolecular organometallic complex
Corresponding author: Alexandra A. Heidecker and Alexander Pöthig, Department of Chemistry & Catalysis Research Center, Technische Universität München, Ernst-Otto-Fischer-Straße 1, D-85748 Garching, Germany, E-mail: (A. A. Heidecker), (A. Pöthig)

Funding source: Deutsche Forschungsgemeinschaft

Award Identifier / Grant number: DFG SPP1928

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: The TUM Catalysis Research Centre, TUM Faculty of Chemistry, the Deutsche Forschungsgemeinschaft (DFG SPP1928) are very much acknowledged for the funding of this work. A. A. H. thanks the TUM Graduate School for financial support.

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Supplementary Material

The online version of this article offers supplementary material (https://doi.org/10.1515/zkri-2021-2076).

Received: 2021-12-17
Accepted: 2022-02-07
Published Online: 2022-02-23
Published in Print: 2022-05-25

© 2022 Walter de Gruyter GmbH, Berlin/Boston

Artikel in diesem Heft

  1. Frontmatter
  2. In this issue
  3. Preface
  4. Crystallography in Germany rejuvenated
  5. Original Papers
  6. CalcOPP: a program for the calculation of one-particle potentials (OPPs)
  7. Synthesis and coordination to the coinage metals of a trimethylpyrazolyl substituted 3-arylacetylacetone
  8. Occupancy disorder in the magnetic topological insulator candidate Mn1−x Sb2+x Te4
  9. Structural study of anhydrous and hydrated 5-fluorouracil co-crystals with nicotinamide and isonicotinamide
  10. Synthesis, crystal-structure refinement and properties of bastnaesite-type PrF[CO3], SmF[CO3] and EuF[CO3]
  11. Crystallographic complexity partition analysis
  12. The “ferros” of MAPbI3: ferroelectricity, ferroelasticity and its crystallographic foundations in hybrid halide perovskites
  13. Structure relations in the family of the solid solution Hf x Zr1−x O2
  14. The crystal structure of single crystalline PrCa4O[BO3]3
  15. Crystal structure of a hexacationic Ag(I)-pillarplex-dodecyl-diammonium pseudo-rotaxane as terephthalate salt
  16. Quantum transport and microwave scattering on fractal lattices
  17. Leveraging dewetting models rather than nucleation models: current crystallographic challenges in interfacial and nanomaterials research
  18. Electronic structure of the homologous series of Ruddlesden–Popper phases SrO(SrTiO3) n , (n = 0–3, ∞)
https://doi.org/10.1515/zkri-2021-2076
Schlagwörter für diesen Artikel
crystal structure; full interaction maps; Hirshfeld surface analysis; non-covalent interactions; organometallic; single crystal X-ray diffraction; supramolecular; supramolecular organometallic complex

Artikel in diesem Heft

  1. Frontmatter
  2. In this issue
  3. Preface
  4. Crystallography in Germany rejuvenated
  5. Original Papers
  6. CalcOPP: a program for the calculation of one-particle potentials (OPPs)
  7. Synthesis and coordination to the coinage metals of a trimethylpyrazolyl substituted 3-arylacetylacetone
  8. Occupancy disorder in the magnetic topological insulator candidate Mn1−x Sb2+x Te4
  9. Structural study of anhydrous and hydrated 5-fluorouracil co-crystals with nicotinamide and isonicotinamide
  10. Synthesis, crystal-structure refinement and properties of bastnaesite-type PrF[CO3], SmF[CO3] and EuF[CO3]
  11. Crystallographic complexity partition analysis
  12. The “ferros” of MAPbI3: ferroelectricity, ferroelasticity and its crystallographic foundations in hybrid halide perovskites
  13. Structure relations in the family of the solid solution Hf x Zr1−x O2
  14. The crystal structure of single crystalline PrCa4O[BO3]3
  15. Crystal structure of a hexacationic Ag(I)-pillarplex-dodecyl-diammonium pseudo-rotaxane as terephthalate salt
  16. Quantum transport and microwave scattering on fractal lattices
  17. Leveraging dewetting models rather than nucleation models: current crystallographic challenges in interfacial and nanomaterials research
  18. Electronic structure of the homologous series of Ruddlesden–Popper phases SrO(SrTiO3) n , (n = 0–3, ∞)
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