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 languageEnglish
Article number193823
Number of pages10
JournalJournal of Chemical Physics
Volume148
DOIs
Publication statusPublished - 12 Feb 2018

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Oxalic Acid
choline
oxalic acid
Choline
ureas
eutectics
Eutectics
Urea
chlorides
Neutron diffraction
Neutron scattering
scattering cross sections
neutron diffraction
Hydrogen bonds
liquid phases
neutron scattering
Substitution reactions
substitutes
hydrogen bonds
Liquids

Cite this

Gilmore, Mark ; Moura, Leila ; Turner, Adam ; Swadzba-Kwasny, Malgorzata ; Callear, Samantha ; McCune, Jade A. ; Scherman, Oren A. ; Holbrey, John. / A comparison of choline:urea and choline:oxalic acid deep eutectic solvents at 338 K. In: Journal of Chemical Physics. 2018 ; Vol. 148.
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A comparison of choline:urea and choline:oxalic acid deep eutectic solvents at 338 K. / Gilmore, Mark; Moura, Leila; Turner, Adam; Swadzba-Kwasny, Malgorzata; Callear, Samantha; McCune, Jade A.; Scherman, Oren A.; Holbrey, John.

In: Journal of Chemical Physics, Vol. 148, 193823, 12.02.2018.

Research output: Contribution to journalArticle

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AU - Gilmore, Mark

AU - Moura, Leila

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AU - Callear, Samantha

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AU - Scherman, Oren A.

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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.

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