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

Research output: Contribution to journal › Article › peer-review

54 Citations (Scopus)

1288 Downloads (Pure)

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

Access to Document

10.1063/1.5010246Licence: Unspecified

A comparison of choline:urea and choline:oxalic acid deep eutectic solvents at 338 K
Copyright AIP Publishing, This work is made available online in accordance with the publisher’s policies. Please refer to any applicable terms of use of the publisher.
Accepted author manuscript, 4.2 MBLicence: Unspecified

1 Finished

R6513QLL: Hydrophobic Ionic Liquid Technologies
Holbrey, J. (PI)
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, M. (Creator), Gilmore, M. (Creator) & Moura, L. (Creator), STFC ISIS, 2017
DOI: 10.5286/ISIS.E.83551647
Dataset

Development and applications of eutectic liquids
Gilmore, M. (Author), Swadzba-Kwasny, G. (Supervisor) & Holbrey, J. (Supervisor), Dec 2019
Student thesis: Doctoral Thesis › Doctor of Philosophy

File

John Holbrey
- J.Holbreyqub.acuk
Person: Academic

54 Citations
6 Article

Investigation of glycerol hydrogen-bonding networks in choline chloride/glycerol eutectic-forming liquids using neutron diffraction
Holbrey, J. & Turner, A., 19 Sept 2019, (Early online date) In: Physical Chemistry Chemical Physics (PCCP). 21, p. 21782-21789, 8 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
76 Citations (Scopus)

611 Downloads (Pure)
Solution structure of propane and propene dissolved in the ionic liquid 1-butyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide from neutron diffraction with H/D substitution and Empirical Potential Structure Refinement modelling
Moura, L., Gilmore, M., Callear, S., Youngs, T. & Holbrey, J., 03 Aug 2019, (Early online date) In: Molecular Physics.
Research output: Contribution to journal › Article › peer-review

Open Access
File
1 Citation (Scopus)

152 Downloads (Pure)
Applying neutron diffraction with isotopic substitution to the structure and proton-transport pathways in protic imidazolium bis{(trifluoromethyl)sulfonyl}imide ionic liquids
Turner, A. H., Imberti, S., Swadzba-Kwasny, M. & Holbrey, J. D., 01 Jan 2018, In: Faraday Discussions. 206, p. 247-263 17 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
11 Citations (Scopus)

366 Downloads (Pure)

Cite this

@article{fbc640b69cfa43939dfa01d660ac5a08,

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.",

author = "Mark Gilmore and Leila Moura and Adam Turner and Malgorzata Swadzba-Kwasny and Samantha Callear and McCune, {Jade A.} and Scherman, {Oren A.} and John Holbrey",

year = "2018",

month = feb,

day = "12",

doi = "10.1063/1.5010246",

language = "English",

volume = "148",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

}

TY - JOUR

T1 - A comparison of choline:urea and choline:oxalic acid deep eutectic solvents at 338 K

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

Y1 - 2018/2/12

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

SN - 0021-9606

VL - 148

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

M1 - 193823

ER -

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

Abstract

Access to Document

Fingerprint

Projects

Datasets

Student theses

Profiles

Research output

Cite this