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Related Concept Videos

Hydrogen Bonds01:04

Hydrogen Bonds

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...
Hydrogen Bonds00:26

Hydrogen Bonds

Hydrogen BondsHydrogen 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...
Entropy and Solvation02:05

Entropy and Solvation

The process of surrounding a solute with solvent is called solvation. It involves evenly distributing the solute within the solvent. The rule of thumb for determining a solvent for a given compound is that like dissolves like. A good solvent has molecular characteristics similar to those of the compound to be dissolved. For example, polar solutions dissolve polar solutes, and apolar solvents dissolve apolar solutes. A polar solvent is a solvent that has a high dielectric constant (ϵ ≥ 15); an...
Molecular Shape and Polarity03:37

Molecular Shape and Polarity

Dipole Moment of a Molecule
Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility02:34

Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility

Intermolecular forces are attractive forces that exist between molecules. They dictate several bulk properties, such as melting points, boiling points, and solubilities (miscibilities) of substances. Molar mass, molecular shape, and polarity affect the strength of different intermolecular forces, which influence the magnitude of physical properties across a family of molecules.
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...

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Updated: Jul 12, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
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Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Published on: February 15, 2016

Competitive Hydrogen-Bond Partitioning in Deep Eutectic Solvents: From Cooperative Charge Spreading to

Sergio de-la-Huerta-Sainz1, Valentín Diez-Cabanes1,2, Alberto Gutiérrez-Vega1

  • 1Department of Chemistry, University of Burgos, Burgos 09001, Spain.

ACS Omega
|July 10, 2026
PubMed
Summary

Deep eutectic solvents (DESs) exhibit complex hydrogen-bond networks beyond simple donor-acceptor interactions. Understanding these networks is key to designing DESs with tunable properties like viscosity and conductivity.

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

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Last Updated: Jul 12, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
06:35

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Published on: February 15, 2016

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
06:44

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Area of Science:

  • Physical Chemistry
  • Materials Science
  • Supramolecular Chemistry

Background:

  • Deep eutectic solvents (DESs) possess unique properties like low melting points and tunable solvation.
  • Their properties are attributed to intricate hydrogen-bond networks, not just simple donor-acceptor interactions.

Purpose of the Study:

  • To advance the understanding of DES hydrogen-bond networks through competitive hydrogen-bond partitioning.
  • To develop a quantitative framework linking hydrogen-bond descriptors to DES properties.
  • To investigate the role of water and interfacial effects in DES behavior.

Main Methods:

  • Synthesis of evidence from vibrational spectroscopy, multinuclear NMR, scattering techniques, dielectric relaxation, and molecular dynamics simulations.
  • Application of DFT cluster calculations and machine-learning potentials.
  • Development of a quantitative structure-property framework using six hydrogen-bond descriptors.

Main Results:

  • Identified coexistence and redistribution of ionic, neutral, cation-mediated, and water-competitive hydrogen-bond motifs.
  • Established a cooperativity-mobility tradeoff: charge spreading at Cl⁻ drives eutectic depression and network rigidity.
  • Characterized four hydration regimes and analyzed interfacial hydrogen-bond reorganization at electrodes.

Conclusions:

  • No single technique fully characterizes DES networks; a multi-method approach is essential.
  • The developed framework links specific hydrogen-bond descriptors to macroscopic properties (viscosity, conductivity, diffusion, glass transition).
  • DESs can be rationally designed by positioning them along the cooperativity-mobility axis, considering hydration and interfacial effects.