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

A. Faraone; D. V. Wagle; G. A. Baker; E. C. Novak; M. Ohl; D. Reuter; P. Lunkenheimer; A. Loidl; E. Mamontov

doi:10.1021/acs.jpcb.7b11224

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

A. Faraone, D. V. Wagle, G. A. Baker, E. C. Novak, M. Ohl, D. Reuter, P. Lunkenheimer, A. Loidl, E. Mamontov

Chemical Spectroscopy

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113 Scopus citations

Abstract

The deep eutectic solvent glyceline formed by choline chloride and glycerol in 1:2 molar ratio is much less viscous compared to glycerol, which facilitates its use in many applications where high viscosity is undesirable. Despite the large difference in viscosity, we have found that the structural network of glyceline is completely defined by its glycerol constituent, which exhibits complex microscopic dynamic behavior, as expected from a highly correlated hydrogen-bonding network. Choline ions occupy interstitial voids in the glycerol network and show little structural or dynamic correlations with glycerol molecules. Despite the known higher long-range diffusivity of the smaller glycerol species in glyceline, in applications where localized dynamics is essential (e.g., in microporous media), the local transport and dynamic properties must be dominated by the relatively loosely bound choline ions.

Original language	English
Pages (from-to)	1261-1267
Number of pages	7
Journal	Journal of Physical Chemistry B
Volume	122
Issue number	3
DOIs	https://doi.org/10.1021/acs.jpcb.7b11224
State	Published - Jan 25 2018

Funding

This work utilized facilities supported in part by the National Science Foundation under Agreement No. DMR-1508249 and received financial support from a Research Council grant at the University of Missouri.

Funders	Funder number
National Science Foundation	DMR-1508249
University of Missouri
National Science Foundation

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10.1021/acs.jpcb.7b11224

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title = "Glycerol Hydrogen-Bonding Network Dominates Structure and Collective Dynamics in a Deep Eutectic Solvent",

abstract = "The deep eutectic solvent glyceline formed by choline chloride and glycerol in 1:2 molar ratio is much less viscous compared to glycerol, which facilitates its use in many applications where high viscosity is undesirable. Despite the large difference in viscosity, we have found that the structural network of glyceline is completely defined by its glycerol constituent, which exhibits complex microscopic dynamic behavior, as expected from a highly correlated hydrogen-bonding network. Choline ions occupy interstitial voids in the glycerol network and show little structural or dynamic correlations with glycerol molecules. Despite the known higher long-range diffusivity of the smaller glycerol species in glyceline, in applications where localized dynamics is essential (e.g., in microporous media), the local transport and dynamic properties must be dominated by the relatively loosely bound choline ions.",

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AU - Faraone, A.

AU - Wagle, D. V.

AU - Baker, G. A.

AU - Novak, E. C.

AU - Ohl, M.

AU - Reuter, D.

AU - Lunkenheimer, P.

AU - Loidl, A.

AU - Mamontov, E.

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AB - The deep eutectic solvent glyceline formed by choline chloride and glycerol in 1:2 molar ratio is much less viscous compared to glycerol, which facilitates its use in many applications where high viscosity is undesirable. Despite the large difference in viscosity, we have found that the structural network of glyceline is completely defined by its glycerol constituent, which exhibits complex microscopic dynamic behavior, as expected from a highly correlated hydrogen-bonding network. Choline ions occupy interstitial voids in the glycerol network and show little structural or dynamic correlations with glycerol molecules. Despite the known higher long-range diffusivity of the smaller glycerol species in glyceline, in applications where localized dynamics is essential (e.g., in microporous media), the local transport and dynamic properties must be dominated by the relatively loosely bound choline ions.

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

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