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Related Concept Videos

Ionic Bonds00:42

Ionic Bonds

132.5K
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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Molecular and Ionic Solids02:54

Molecular and Ionic Solids

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Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
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Hydrogen Bonds00:26

Hydrogen Bonds

134.8K
Hydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.
Hydrogen Bonds Control the World!
Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are unequally shared....
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Hydrogen Bonds01:04

Hydrogen Bonds

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A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
15.2K
Ionic Bonding and Electron Transfer02:48

Ionic Bonding and Electron Transfer

49.9K
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. 
49.9K
Bond Polarity, Dipole Moment, and Percent Ionic Character02:48

Bond Polarity, Dipole Moment, and Percent Ionic Character

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Bond Polarity
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

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Hydrogen Bonding Features in Cholinium-Based Protic Ionic Liquids from Molecular Dynamics Simulations.

Marco Campetella1, Andrea Le Donne1, Maddalena Daniele2

  • 1Chemistry Department , University of Rome "La Sapienza" , Rome , Italy.

The Journal of Physical Chemistry. B
|February 13, 2018
PubMed
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This study reveals the intricate hydrogen bond networks in protic ionic liquids (PILs) featuring choline and amino acid anions. Varying alkyl chain structures influence the short-range order and dynamics of these PILs.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Chemical Physics

Background:

  • Protic ionic liquids (PILs) are versatile materials with tunable properties.
  • Understanding the structure-property relationships in PILs is crucial for their application.
  • Amino acid anions introduce unique hydrogen bonding capabilities due to their amphoteric nature.

Purpose of the Study:

  • To investigate the short-range structure and dynamics of PILs based on choline and amino acid anions.
  • To elucidate the role of alkyl chain length and branching on the hydrogen bond network.
  • To correlate computational findings with experimental spectroscopic data.

Main Methods:

  • Ab initio molecular dynamics (AIMD) simulations to model system behavior at the electronic level.
  • X-ray diffraction (XRD) for experimental determination of structural properties.
  • Infrared (IR) spectroscopy to probe molecular vibrations and hydrogen bonding.

Main Results:

  • Detailed characterization of the complex hydrogen bond network arising from amino acid anions.
  • Correlation between alkyl chain variations and observed changes in short-range order.
  • Accurate prediction of IR spectra using AIMD, aiding the assignment of experimental spectra.

Conclusions:

  • The amphoteric nature of amino acid anions leads to a complex hydrogen bonding network in these PILs.
  • AIMD simulations provide accurate charge densities and vibrational spectra, complementing experimental studies.
  • This research offers fundamental insights into the structural and dynamic behavior of functionalized PILs.