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Ionic Crystal Structures02:42

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Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
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Ion exchange chromatography separates charged molecules from a solution by reversibly exchanging them with mobile, or 'active', ions associated with the oppositely charged stationary phase. This method can be used to separate ions, soften and deionize water, and purify solutions. The polymers comprising the ion-exchange column are high-molecular-weight and chemically stable polymers, crosslinked to be porous and essentially insoluble. They are also functionalized with either acidic or...
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Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
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Crystal Field Theory
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CFT focuses on...
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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
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Plastic crystal-based electrolytes using novel dicationic salts.

Shanika Abeysooriya1, Minjae Lee2, Luke A O'Dell3

  • 1Institute for Frontier Materials (IFM), Deakin University, Burwood Hwy, VIC 3125, Australia. jenny.pringle@deakin.edu.au.

Physical Chemistry Chemical Physics : PCCP
|February 9, 2022
PubMed
Summary
This summary is machine-generated.

We synthesized and studied two new dicationic organic salts. The salt with a longer alkyl chain, [C2-Pyrr3][TFSI]2, exhibited enhanced transport properties, especially when mixed with lithium bis(trifluoromethanesulfonyl)imide (LiTFSI).

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Solid-State Chemistry

Background:

  • Dicationic organic salts offer diverse physicochemical properties due to varied cation-anion combinations.
  • Structure-property relationships in dicationic organic salts remain underexplored.
  • Novel dicationic salts are crucial for developing advanced materials.

Purpose of the Study:

  • Synthesize and characterize new dicationic organic salts: 1,2-bis(N-ethylpyrrolidinium)ethane bis(trifluoromethanesulfonyl)imide ([C2-Pyrr2][TFSI]2) and 1,2-bis(N-n-propylpyrrolidinium)ethane bis(trifluoromethanesulfonyl)imide ([C2-Pyrr3][TFSI]2).
  • Investigate the structure-property relationships, focusing on local structure, dynamics, thermal properties, and ionic conductivity.
  • Evaluate their potential as electrolyte materials, particularly when combined with lithium bis(trifluoromethanesulfonyl)imide (LiTFSI).

Main Methods:

  • Synthesis and characterization of novel dicationic salts.
  • Variable temperature solid-state Nuclear Magnetic Resonance (NMR) spectroscopy for local structure and dynamics.
  • Thermal analysis (e.g., DSC, TGA) to assess thermal stability.
  • Ionic conductivity measurements.
  • Electrolyte performance evaluation with LiTFSI addition.

Main Results:

  • Successful synthesis and characterization of [C2-Pyrr2][TFSI]2 and [C2-Pyrr3][TFSI]2.
  • [C2-Pyrr3][TFSI]2, featuring a longer alkyl chain, demonstrated superior transport properties compared to [C2-Pyrr2][TFSI]2.
  • Addition of 10 mol% LiTFSI significantly enhanced ionic conductivity, with the [C2-Pyrr3][TFSI]2/LiTFSI mixture showing the most substantial improvement.
  • Solid-state NMR indicated that Li+ and [TFSI]- ions were the primary charge carriers, while dications exhibited limited mobility.

Conclusions:

  • Dication structure, specifically alkyl chain length, influences the physicochemical and transport properties of organic salts.
  • Dicationic organic salts, particularly [C2-Pyrr3][TFSI]2, show promise as electrolyte components when combined with lithium salts.
  • The findings provide valuable insights into structure-property correlations for designing advanced electrolyte materials.