A comparison of choline:urea and choline:oxalic acid deep eutectic solvents at 338 K

Mark Gilmore; Leila Moura; Adam Turner; Malgorzata Swadzba-Kwasny; Samantha Callear; Jade A. McCune; Oren A. Scherman; John Holbrey

doi:10.1063/1.5010246

A comparison of choline:urea and choline:oxalic acid deep eutectic solvents at 338 K

Mark Gilmore, Leila Moura, Adam Turner, Malgorzata Swadzba-Kwasny, Samantha Callear, Jade A. McCune, Oren A. Scherman, John Holbrey

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Abstract

1:2 choline chloride:urea and 1:1 choline chloride:oxalic acid deep eutectic solvents are compared at 338 K using liquid-phase neutron diffraction with H/D isotopic substitution to obtain differential neutron scattering cross sections and fitting of models to the experimental data using Empirical Potential Structure Refinement. In comparison to the previously reported study of choline chloride:urea at 303 K, we observed significant weakening and lengthening of choline–OH· · · Cl and choline–OH· · · hydrogen-bond acceptor correlations.

Original language	English
Article number	193823
Number of pages	10
Journal	Journal of Chemical Physics
Volume	148
DOIs	https://doi.org/10.1063/1.5010246
Publication status	Published - 12 Feb 2018

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A comparison of choline:urea and choline:oxalic acid deep eutectic solvents at 338 K
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1 Finished

R6513QLL: Hydrophobic Ionic Liquid Technologies
Holbrey, J.
27/05/2015 → 31/01/2018
Project: Research

DESolution of Cucurbit[n]urils
Holbrey, J. (Creator), McCune, J. (Creator) & Scherman, O. (Creator), STFC ISIS, 2016
DOI: 10.5286/ISIS.E.RB1700022
Dataset
Solvation and structure of iron oxide in a choline chloride/oxalic acid deep eutectic solvent
Holbrey, J. (Creator), Swadzba-Kwasny, G. (Creator), Gilmore, M. (Creator) & Moura, L. (Creator), STFC ISIS, 2017
DOI: 10.5286/ISIS.E.83551647
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John Holbrey
- J.Holbreyqub.acuk
Person: Academic

Cite this

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title = "A comparison of choline:urea and choline:oxalic acid deep eutectic solvents at 338 K",

abstract = "1:2 choline chloride:urea and 1:1 choline chloride:oxalic acid deep eutectic solvents are compared at 338 K using liquid-phase neutron diffraction with H/D isotopic substitution to obtain differential neutron scattering cross sections and fitting of models to the experimental data using Empirical Potential Structure Refinement. In comparison to the previously reported study of choline chloride:urea at 303 K, we observed significant weakening and lengthening of choline–OH· · · Cl and choline–OH· · · hydrogen-bond acceptor correlations.",

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AU - Gilmore, Mark

AU - Moura, Leila

AU - Turner, Adam

AU - Swadzba-Kwasny, Malgorzata

AU - Callear, Samantha

AU - McCune, Jade A.

AU - Scherman, Oren A.

AU - Holbrey, John

PY - 2018/2/12

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N2 - 1:2 choline chloride:urea and 1:1 choline chloride:oxalic acid deep eutectic solvents are compared at 338 K using liquid-phase neutron diffraction with H/D isotopic substitution to obtain differential neutron scattering cross sections and fitting of models to the experimental data using Empirical Potential Structure Refinement. In comparison to the previously reported study of choline chloride:urea at 303 K, we observed significant weakening and lengthening of choline–OH· · · Cl and choline–OH· · · hydrogen-bond acceptor correlations.

AB - 1:2 choline chloride:urea and 1:1 choline chloride:oxalic acid deep eutectic solvents are compared at 338 K using liquid-phase neutron diffraction with H/D isotopic substitution to obtain differential neutron scattering cross sections and fitting of models to the experimental data using Empirical Potential Structure Refinement. In comparison to the previously reported study of choline chloride:urea at 303 K, we observed significant weakening and lengthening of choline–OH· · · Cl and choline–OH· · · hydrogen-bond acceptor correlations.

U2 - 10.1063/1.5010246

DO - 10.1063/1.5010246

M3 - Article

VL - 148

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

M1 - 193823

ER -

A comparison of choline:urea and choline:oxalic acid deep eutectic solvents at 338 K

Abstract

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Projects

R6513QLL: Hydrophobic Ionic Liquid Technologies

Datasets

DESolution of Cucurbit[n]urils

Solvation and structure of iron oxide in a choline chloride/oxalic acid deep eutectic solvent

Profiles

John Holbrey

Cite this