School of Chemistry and Sydney Nano Institute, The University of Sydney, NSW 2006, Australia.
STFC, ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, Didcot OX11 0QX, United Kingdom.
J Chem Phys. 2021 Jun 7;154(21):214504. doi: 10.1063/5.0052479.
We have investigated the structure and phase behavior of biocompatible, aqueous deep eutectic solvents by combining choline acetate, hydrogen aspartate, and aspartate amino acid salts with water as the sole molecular hydrogen bond donor. Using contrast-variation neutron diffraction, interpreted via computational modeling, we show how the interplay between anion structure and water content affects the hydrogen bond network structure in the liquid, which, in turn, influences the eutectic composition and temperature. These mixtures expand the current range choline amino acid ionic liquids under investigation for biomass processing applications to include higher melting point salts and also explain how the ionic liquids retain their desirable properties in aqueous solution.
我们通过将乙酸胆碱、天冬氨酸氢和天冬氨酸氨基酸盐与水作为唯一的分子氢键供体结合，研究了生物相容性、水性深共熔溶剂的结构和相行为。通过对比变化的中子衍射，并通过计算建模进行解释，我们展示了阴离子结构和含水量之间的相互作用如何影响液体中的氢键网络结构，进而影响共晶组成和温度。这些混合物将目前用于生物质加工应用的胆碱氨基酸离子液体的研究范围扩大到包括熔点更高的盐，并解释了离子液体如何在水溶液中保持其理想的性质。
