Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Search research articles

Related Experiment Videos

Cooperativity in ionic liquids.

Simone Kossmann¹, Jens Thar, Barbara Kirchner

¹Institut für Physikalische und Theoretische Chemie, Universität Bonn, Wegelerstrasse 12, D-53115 Bonn, Germany.

The Journal of Chemical Physics

|May 13, 2006

Summary

This summary is machine-generated.

Related Concept Videos

You might also read

Related Articles

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

Sort by

Same author

Nanoplastics Can Build Themselves.

The journal of physical chemistry letters·2026

Same author

Good Practices for Simulation Studies Published in <i>The Journal of Physical Chemistry B</i>.

The journal of physical chemistry. B·2026

Same author

CONAN Build: Building Functionalized or Doped Carbon Nanomaterials.

Journal of chemical information and modeling·2026

Same author

Designing conductive polymers using anion-polymerized ionic liquids.

Philosophical transactions. Series A, Mathematical, physical, and engineering sciences·2026

Same author

Uncertainty Quantification for <i>In Silico</i> Chemistry.

Chemical reviews·2026

Same author

Solvation structures of potassium bis(trifluoromethylsulfonyl)imide-glyme highly concentrated electrolytes and cycling on organic cathodes.

Dalton transactions (Cambridge, England : 2003)·2026

Same journal

Quantum simulation of alignment dependent differential cross sections in co-propagating molecular beams at cold collision energies.

The Journal of chemical physics·2026

Same journal

Non-additive ion effects on the coil-globule equilibrium of a generic polymer in aqueous salt solutions.

The Journal of chemical physics·2026

Same journal

Insights into the unexpected small reduction of the temperature of maximum density of water by lithium chloride addition.

The Journal of chemical physics·2026

Same journal

Optical frequency comb double-resonance spectroscopy of the 9030-9175 cm-1 states of ethylene.

The Journal of chemical physics·2026

Same journal

Time reversal breaking of colloidal particles in cells.

The Journal of chemical physics·2026

Same journal

Photodynamics of amino acids under UV excitation: Extraterrestrial amino acids.

The Journal of chemical physics·2026

See all related articles

Cooperativity in ionic liquids is significant, with quantum chemical calculations revealing stronger effects than in water. Hydrogen bonding and dipole moments change predictably with increasing cluster size.

Area of Science:

Computational Chemistry
Materials Science
Physical Chemistry

Background:

Ionic liquids exhibit complex cooperative phenomena.
Understanding these effects is crucial for designing novel materials.
Quantum chemical methods offer insights into molecular interactions.

Purpose of the Study:

To investigate cooperativity in ionic liquid clusters using static quantum chemical calculations.
To quantify cooperative effects in dimethylimidazolium chloride aggregates.
To explore the influence of cluster size on structural and electronic properties.

Main Methods:

Density functional theory (DFT) with gradient-corrected functionals.
Calculation of larger clusters of dimethylimidazolium cations and chloride anions.

Related Experiment Videos

Analysis of linear chain and ring aggregates.

Main Results:

Cooperative effects were observed in all examined structural motifs.
Cooperativity in ionic liquid chains is stronger than in water.
Increasing cluster size led to changes in Cl...H distance, dipole moment, and chloride charge.

Conclusions:

Cooperative effects play a more significant role in ionic liquids than previously expected.
Hydrogen bond energies decrease with increasing cluster size.
DFT calculations provide valuable data on ionic liquid aggregation.