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Related Concept Videos

Ionic Bonding and Electron Transfer02:48

Ionic Bonding and Electron Transfer

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Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions. 
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Ionic Bonds

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Overview
When atoms gain or lose electrons to achieve a more stable electron configuration they form ions. Ionic bonds are electrostatic attractions between ions with opposite charges. Ionic compounds are rigid and brittle when solid and may dissociate into their constituent ions in water. Covalent compounds, by contrast, remain intact unless a chemical reaction breaks them.
Opposing Charges Hold Ions Together in Ionic Compounds
Ionic bonds are reversible electrostatic interactions between ions...
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Bond Polarity
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Ionic Crystal Structures

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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.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
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Valence Bond Theory02:45

Valence Bond Theory

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Alkyl Halides02:45

Alkyl Halides

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Structural Properties
Alkyl halides are halogen-substituted alkanes wherein one or more hydrogen atoms of an alkane is replaced by a halogen atom such as fluorine, chlorine, bromine, or iodine. The carbon atom in an alkyl halide is bonded to the halogen atom, which is sp3-hybridized and exhibits a tetrahedral shape.
Unlike alkyl halides, compounds in which a halogen atom is bonded to an sp2 -hybridized carbon atom of a carbon-carbon double bond (C=C) are called vinyl halides. Whereas aryl...
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Updated: Sep 20, 2025

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

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Chemical Bond Covalency in Superionic Halide Solid-State Electrolytes.

Jiamin Fu1,2, Han Su1, Jing Luo1

  • 1Department of Mechanical and Materials Engineering, University of Western Ontario, London, Ontario, N6A 5B9, Canada.

Angewandte Chemie (International Ed. in English)
|May 29, 2025
PubMed
Summary
This summary is machine-generated.

The superionic transition in halide solid-state electrolytes is driven by a change in chemical bonding, not crystal structure. This ionic-covalent transition is tunable and crucial for developing advanced solid-state batteries.

Keywords:
CovalencyHalide conductorIonic diffusionSolid‐state electrolyte

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Electrochemistry

Background:

  • Halide solid-state electrolytes (SSEs) show potential for all-solid-state lithium-ion batteries due to high ionic conductivity and stability.
  • Existing research on SSEs primarily focuses on ion-stacking structures, neglecting the influence of chemical bonding on ion transport.

Purpose of the Study:

  • To investigate the role of bond dynamics in the superionic transition (SIT) of halide SSEs.
  • To explore the relationship between chemical bonding and ionic transport mechanisms in Li3InBr6 and related compounds.

Main Methods:

  • Synchrotron X-ray techniques were employed to study bond dynamics.
  • Ab initio molecular dynamics (AIMD) simulations were used to analyze ion diffusion and collective anion motion.
  • The study was extended to the Li3LnBr6 series (Ln = Gd, Tb, Ho, Tm, Lu).

Main Results:

  • The superionic transition (SIT) in halide SSEs is driven by a thermally induced shift from ionic to covalent bonding, independent of crystal phase changes.
  • AIMD simulations revealed increased Li+ diffusion and collective anion movement at higher temperatures.
  • Li3GdBr6 demonstrated the highest ionic conductivity (5.2 mS cm-1 at 298 K) within the studied Li3LnBr6 series.
  • The ionic-covalent transition was found to be tunable via electrolyte modifications, including cation/anion substitution and synthesis methods.

Conclusions:

  • The study provides a new understanding of ionic transport in halide SSEs, emphasizing the critical role of chemical bond characteristics.
  • The findings suggest that manipulating bond dynamics offers a promising avenue for designing high-performance solid-state electrolytes for advanced batteries.