Imperial College London
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ProfessorPatriciaHunt

Faculty of Natural Sciences, Department of Chemistry

Visiting Professor
 
 
 
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Contact

 

p.hunt Website

 
 
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Location

 

Molecular Sciences Research HubWhite City Campus

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Summary

 

Publications

Citation

BibTex format

@article{Hunt:2016:10.1039/C6CP02815B,
author = {Hunt, PA and Ashworth, C and Matthews, R and Welton, T},
doi = {10.1039/C6CP02815B},
journal = {Physical Chemistry Chemical Physics},
pages = {18145--18160},
title = {Doubly Ionic Hydrogen Bond Interactions Within the Choline Chloride - Urea Deep Eutectic Solvent},
url = {http://dx.doi.org/10.1039/C6CP02815B},
volume = {18},
year = {2016}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - Deep eutectic solvents (DESs) are exemplars of systems with the ability to form neutral, ionic and doubly ionic H-bonds. Herein, the pairwise interactions of the constituent components of the choline chloride–urea DES are examined. Evidence is found for a tripodal CHCl doubly ionic H-bond motif. Moreover it is found that the covalency of doubly ionic H-bonds can be greater than, or comparable with, neutral and ionic examples. In contrast to many traditional solvents, an “alphabet soup” of many different types of H-bond (OHO[double bond, length as m-dash]C, NHO[double bond, length as m-dash]C, OHCl, NHCl, OHNH, CHCl, CHO[double bond, length as m-dash]C, NHOH and NHNH) can form. These H-bonds exhibit substantial flexibility in terms of number and strength. It is anticipated that H-bonding will have a significant impact on the entropy of the system and thus could play an important role in the formation of the eutectic. The 2 : 1 urea : choline–chloride eutectic point of this DES is often associated with the formation of a [Cl(urea)2]− complexed anion. However, urea is found to form a H-bonded urea[choline]+ complexed cation that is energetically competitive with [Cl(urea)2]−. The negative charge on [Cl(urea)2]− is found to remain localised on the chloride, moreover, the urea[choline]+ complexed cation forms the strongest H-bond studied here. Thus, there is potential to consider a urea[choline]+·urea[Cl]− interaction.
AU  - Hunt,PA
AU  - Ashworth,C
AU  - Matthews,R
AU  - Welton,T
DO  - 10.1039/C6CP02815B
EP  - 18160
PY  - 2016///
SN  - 1463-9084
SP  - 18145
TI  - Doubly Ionic Hydrogen Bond Interactions Within the Choline Chloride - Urea Deep Eutectic Solvent
T2  - Physical Chemistry Chemical Physics
UR  - http://dx.doi.org/10.1039/C6CP02815B
UR  - http://hdl.handle.net/10044/1/33922
VL  - 18
ER  -
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