Abstract In this work, four different oxygen functionalized ionic liquids, 1-(3-hydroxypropyl)-3-methylimidazolium chloride,[OHC 3 mIm][Cl], 1-(3-hydroxypropyl)-3-ethylimidazolium chloride [OHC 3 eIm][Cl], 1-(2-oxobutyl)-3-methylimidazolium chloride, [C 2 OC 2 mIm][Cl] and 1-(4-hydroxy-2-oxobutyl)-3-methylimidazolium chloride, [OHC 2 OC 2 mIm][Cl] were synthesized in liquid state at room temperature. Detailed physico-chemical characterisation (density, viscosity and conductivity) supported with computational simulations for pure ionic liquid and their aqueous solutions were performed. Based on these examinations, interactions in pure ionic liquids and interactions between water and synthesized ionic liquids were discussed.

中文翻译：

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氧官能化对咪唑基离子液体理化性质的影响——实验和计算研究

摘要 在这项工作中，四种不同的氧官能化离子液体，1-(3-羟丙基)-3-甲基咪唑氯化物，[OHC 3 mIm][Cl]，1-(3-羟丙基)-3-乙基咪唑氯化物 [OHC 3 eIm ][Cl]，1-(2-氧代丁基)-3-甲基咪唑氯化物，[C 2 OC 2 mIm][Cl] 和 1-(4-羟基-2-氧代丁基)-3-甲基咪唑氯化物，[OHC 2 OC 2 mIm][Cl] 在室温下以液态合成。在纯离子液体及其水溶液的计算模拟支持下进行了详细的物理化学表征（密度、粘度和电导率）。基于这些研究，讨论了纯离子液体中的相互作用以及水与合成离子液体之间的相互作用。