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Hydrogen Bonds

Hydrogen Bonds

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.
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Preparation of Binary and Ternary Deep Eutectic Systems

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Published on: October 31, 2019

Glycerol Hydrogen-Bonding Network Dominates Structure and Collective Dynamics in a Deep Eutectic Solvent.

A Faraone¹, D V Wagle², G A Baker²

¹NIST Center for Neutron Research, National Institute of Standards and Technology Gaithersburg , Gaithersburg, Maryland 20899, United States.

The Journal of Physical Chemistry. B

|January 17, 2018

Summary

Deep eutectic solvent glyceline, a mixture of choline chloride and glycerol, has lower viscosity than glycerol. Its structure is dominated by glycerol, but choline ions influence local dynamics, crucial for applications like microporous media.

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Area of Science:

Physical Chemistry
Materials Science

Background:

Deep eutectic solvents (DESs) offer tunable properties for various applications.
Glyceline, a DES composed of choline chloride and glycerol, exhibits significantly lower viscosity than glycerol.
Understanding the structure-dynamics relationship in DESs is crucial for optimizing their performance.

Purpose of the Study:

To elucidate the microscopic structure and dynamics of the deep eutectic solvent glyceline.
To investigate the role of glycerol and choline ions in defining glyceline's properties.
To correlate the observed dynamics with potential applications.

Main Methods:

Molecular dynamics simulations were employed to analyze the structural and dynamic behavior of glyceline.
Analysis focused on hydrogen bonding networks, ion-molecule interactions, and diffusion coefficients.
Comparison of glyceline's properties with pure glycerol.

Main Results:

Glyceline's reduced viscosity is attributed to its unique structural network, primarily defined by glycerol.
Glycerol forms a hydrogen-bonding network with complex microscopic dynamics.
Choline ions are found in interstitial voids, showing minimal correlation with glycerol, and dominate local transport.

Conclusions:

The glycerol component dictates the overall structural network and long-range dynamics of glyceline.
Choline ions play a critical role in localized dynamics and transport, particularly relevant for applications in confined environments.
Glyceline's distinct structural and dynamic characteristics make it suitable for applications where low viscosity and specific local transport are required.