Neutron diffraction, NMR and molecular dynamics study of glucose dissolved in the ionic liquid 1-ethyl-3-methylimidazolium acetate

被引：118
作者：
Youngs, Tristan G. A. [2 ]
Holbrey, John D. [1 ]
Mullan, Claire L. [1 ]
Norman, Sarah E. [1 ]
Lagunas, M. Cristina [1 ]
D'Agostino, Carmine [3 ]
Mantle, Mick D. [3 ]
Gladden, Lynn F. [3 ]
Bowron, Daniel T. [4 ]
Hardacre, Christopher [1 ]
机构：
[1] Queens Univ Belfast, QUILL Res Ctr, Sch Chem & Chem Engn, Belfast BT9 5AG, Antrim, North Ireland
[2] Queens Univ Belfast, Atomist Simulat Ctr, Sch Maths & Phys, Belfast BT7 1NN, Antrim, North Ireland
[3] Univ Cambridge, Dept Chem Engn & Biotechnol, Cambridge CB2 3RA, England
[4] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England
来源：
CHEMICAL SCIENCE | 2011年 / 2卷 / 08期
基金：
英国工程与自然科学研究理事会;
关键词：
CHEM.-CHEM.-PHYS; DISSOLUTION MECHANISM; CELLOBIOSE SOLVATION; CELLULOSE; UNDERSTAND; SIMULATION; CHLORIDE; WATER; FIELD;
D O I：
10.1039/c1sc00241d
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
beta-D-glucose dissolved in the ionic liquid 1-ethyl-3-methylimidazolium acetate in a 6 : 1 molar ratio (ionic liquid : glucose) has been studied by neutron scattering, NMR and molecular dynamics simulations. Good agreement was found between simulated neutron scattering profiles generated for isotopically substituted liquid systems and those experimentally determined as well as between simulated and experimental diffusion coefficients obtained by Pulsed Field Gradient NMR spectroscopy. The overriding glucose-ionic liquid interactions in the liquid are hydrogen-bonding between acetate oxygens and sugar hydroxyl groups. The ionic liquid cation was found to play only a minor role in the solvation of the sugar and does not participate in hydrogen-bonding with the sugar to any significant degree. NOESY experiments lend further evidence that there is no direct interaction between sugar hydroxyl groups and acidic hydrogens on the ionic liquid cation.
引用
收藏
页码：1594 / 1605
页数：12
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