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Probing Molecular Interactions in 1-Butyl-3-methylimidazolium Chloride-Water and 2,6-Dimethoxyphenol Mixtures Using Attenuated Total Reflection Infrared Spectroscopy
Yan-tao Wang,Kun-lan Li*,Li-gang Wei*,Ying-chong Ma
Author NameAffiliationE-mail
Yan-tao Wang School of Light Industry and Chemical Engineering, Dalian Polytechnic University, Dalian 116034, China;Laboratory of EA4297 TIMR, University of Technology of Compiè;gne, Compiè;gne 60200, France  
Kun-lan Li* School of Light Industry and Chemical Engineering, Dalian Polytechnic University, Dalian 116034, China likl@dlpu.edu.cn 
Li-gang Wei* School of Light Industry and Chemical Engineering, Dalian Polytechnic University, Dalian 116034, China wei_ligang@hotmail.com 
Ying-chong Ma School of Light Industry and Chemical Engineering, Dalian Polytechnic University, Dalian 116034, China  
Abstract:
Molecular interactions of the ternary mixtures of 1-butyl-3-methylimidazolium chloride ([C4C1im]Cl)-water-2,6-dimethoxyphenol (2,6-DMP, a phenolic monomer lignin model compound) were investigated in comparison with the [C4C1im]Cl-water binary systems through attenuated total reflection infrared spectroscopy. Results indicated that the microstructures of water and [C4C1im]Cl changed with varying mole fraction of [C4C1im]Cl (xIL) from 0.01 to 1.0. This change was mainly attributed to the interactions of [C4C1im]Cl-water and the self-aggregation of [C4C1im]Cl through hydrogen bonding. The band shifts of C-H on imidazolium ring and the functional groups in 2,6-DMP indicated that the occurrence of intermolecular interactions by different mechanisms (i.e., hydrogen bonding or π-π stacking) resulted in 2,6-DMP dissolution. In the case of xIL=0.12, the slightly hydrogen-bonded water was fully destroyed and [C4C1im]Cl existed in the form of hydrated ion pairs. Interestingly, the maximum 2,6-DMP solubility (238.5 g/100 g) was achieved in this case. The interactions and microstructures of [C4C1im]Cl-water mixtures influenced the dissolution behavior of 2,6-DMP.
Key words:  Lignin model compound  Ionic liquid-water  Molecular interactions
FundProject:This work was supported by the National Natural Science Foundation of China (No.21106011 and No.21276034) and the Program of Science and Technology of Liaoning Province (No.201602058), and China Scholarship Council.
1-丁基-3-甲基咪唑氯盐-水和2,6-二甲氧基苯酚混合物中分子相互作用的衰减全反射红外光谱研究
王艳涛,李坤兰*,魏立纲*,马英冲
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DOI:10.1063/1674-0068/30/cjcp1611203
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