Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Ionic Bonding and Electron Transfer02:48

Ionic Bonding and Electron Transfer

48.8K
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. 
48.8K
Pretreatment of Lignocellulosic Biomass with Low-cost Ionic Liquids10:42

Pretreatment of Lignocellulosic Biomass with Low-cost Ionic Liquids

18.9K
The pretreatment of lignocellulosic biomass with protic low-cost ionic liquids is shown, resulting in a delignified cellulose-rich pulp and a purified lignin. The pulp gives rise to high glucose yields after enzymatic...
18.9K
Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids07:14

Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids

9.5K
A protocol for the synthesis of bimetallic nanoparticles in ionic liquids and the procedure of their catalytic testing in the selective hydrogenation of unsaturated aldehydes are...
9.5K
Molecular and Ionic Solids02:54

Molecular and Ionic Solids

19.9K
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...
19.9K
From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding06:44

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

69.6K
A protocol for the synthesis of a new type of mesogens, based on the halogen-bonded supramolecular anion [CnF2n+1-I···I···I-CnF2n+1]−, is...
69.6K
Ionic Radii03:10

Ionic Radii

33.3K
Ionic radius is the measure used to describe the size of an ion. A cation always has fewer electrons and the same number of protons as the parent atom; it is smaller than the atom from which it is derived. For example, the covalent radius of an aluminum atom (1s22s22p63s23p1) is 118 pm, whereas the ionic radius of an Al3+ (1s22s22p6) is 68 pm. As electrons are removed from the outer valence shell, the remaining core electrons occupying smaller shells experience a greater effective nuclear...
33.3K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

MgCl<sub>2</sub>-Mediated Mechanisms of Oxygen Solubility in Molten Chlorides.

Inorganic chemistry·2026
Same author

From Hydrogen Bonding to Hydrophobic Control: The Shifting Solvation Mechanism of Ibuprofen in Deep Eutectic Solvents.

The journal of physical chemistry. B·2026
Same author

Advancing the CL&Pol Polarizable Force Field for Accurate Modeling of Mg<sup>2+</sup>, Ca<sup>2+</sup>, and Zn<sup>2+</sup> Electrolytes.

Journal of chemical information and modeling·2026
Same author

Effect of Mg<sup>2+</sup> Ions on Transport Properties in Molten Chloride Fast Reactor Fuels.

The journal of physical chemistry. B·2026
Same author

Understanding and optimizing the structure of novel peptide-based ionic liquids: Water as modulating agent.

The Journal of chemical physics·2026
Same author

Atomistic Investigation of Thermophysical Properties of Actinide Chlorides-Based Molten Salts via <i>Ab Initio</i> Molecular Dynamics and the Polarizable Ion Model.

The journal of physical chemistry. B·2026

Related Experiment Video

Updated: Jan 19, 2026

Electron Transfer from Metals to Nonmetals and Ionic Bonding
02:48

Electron Transfer from Metals to Nonmetals and Ionic Bonding

48.8K

Transferable, Polarizable Force Field for Ionic Liquids.

Kateryna Goloviznina1, José N Canongia Lopes2, Margarida Costa Gomes1

  • 1Laboratoire de Chimie , École Normale Supérieure de Lyon & CNRS , 69364 Lyon , France.

Journal of Chemical Theory and Computation
|September 19, 2019
PubMed
Summary

A new polarizable force field, CL&Pol, accurately simulates ionic liquids (ILs) and their mixtures. It overcomes limitations of fixed-charge models by including polarization, improving molecular dynamics simulations.

More Related Videos

Pretreatment of Lignocellulosic Biomass with Low-cost Ionic Liquids
10:42

Pretreatment of Lignocellulosic Biomass with Low-cost Ionic Liquids

Published on: August 10, 2016

18.9K
Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids
07:14

Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids

Published on: August 23, 2018

9.5K

Related Experiment Videos

Last Updated: Jan 19, 2026

Electron Transfer from Metals to Nonmetals and Ionic Bonding
02:48

Electron Transfer from Metals to Nonmetals and Ionic Bonding

48.8K
Pretreatment of Lignocellulosic Biomass with Low-cost Ionic Liquids
10:42

Pretreatment of Lignocellulosic Biomass with Low-cost Ionic Liquids

Published on: August 10, 2016

18.9K
Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids
07:14

Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids

Published on: August 23, 2018

9.5K

Area of Science:

  • Computational Chemistry
  • Materials Science
  • Chemical Physics

Background:

  • Existing fixed-charge force fields for ionic liquids (ILs) exhibit slow dynamics in simulations.
  • Polarization effects are crucial for accurately modeling IL behavior and their mixtures.
  • Need for a transferable and accurate polarizable force field for diverse IL systems.

Purpose of the Study:

  • To develop a general, transferable, and polarizable force field for simulating ILs and their mixtures.
  • To address the dynamic inaccuracies of fixed-charge models by incorporating explicit polarization.
  • To create a model compatible with widely used organic force fields like OPLS-AA.

Main Methods:

  • Developed a polarizable model (CL&Pol) derived from the CL&P fixed-charge force field.
  • Incorporated Drude-induced dipoles with parameters from atomic polarizabilities.
  • Modified CL&P using first-principles SAPT calculations and developed a predictive scheme based on molecular properties (dipole moments, polarizabilities).

Main Results:

  • The CL&Pol force field accurately describes a wide range of ILs and their mixtures.
  • Explicit inclusion of polarization corrects the slow dynamics observed in fixed-charge models.
  • The fragment approach ensures transferability across various cation and anion families without reparametrization.

Conclusions:

  • The CL&Pol force field provides a significant advancement for molecular simulations of ionic liquids.
  • The methodology enables the conversion of other fixed-charge force fields into polarizable versions.
  • Validated by experimental data on density, ion diffusion, and viscosity, demonstrating its predictive power.