2,2,3,3-Tetrafluoro-1-propanol (TFP) is benign solvent and applied in electronic industry. To recover TFP from its aqueous solution by liquid-liquid extraction, in this work, two pyridine-based ionic liquids (ILs) 1-ethyl acetate-pyridine bis(trifluoromethane)sulfonimide ([EAPy][NTf₂]) and 1-hydroxyethyl-pyridine bis(trifluoromethane)sulfonimide ([OHPy][NTf₂]) were adopted as extractants. The ILs [EAPy][NTf₂] and [OHPy][NTf₂] were synthesized and characterized. The extraction performance of the prepared ILs for extracting TFP from its aqueous solution was explored by changing extraction temperature, extraction time and mass ratio of IL to TFP solution. The extraction efficiency of [EAPy][NTf₂] and [OHPy][NTf₂] was 90.24% and 88.45% with the mass ratio of IL to TFP solution of 1.0 and extraction time of 10 min at 298.15K. The intermolecular interaction was investigated by quantum chemistry calculations and molecular dynamics simulations. The results indicated that O atom of the IL anion formed strong hydrogen bond with H atom of TFP. In addition, the functional groups on the cations of the ILs showed the van der Waals (vdW) interaction between the ILs and TFP.

2,2,3,3-四氟-1-丙醇（TFP）是一种良性溶剂，应用于电子工业。为了通过液-液萃取从其水溶液中回收 TFP，在这项工作中，两种基于吡啶的离子液体 (ILs) 1-乙酸乙酯-吡啶双(三氟甲烷)磺酰亚胺 ([EAPy][NTf ₂ ]) 和 1-羟乙基采用-吡啶双(三氟甲烷)磺酰亚胺([OHPy][NTf ₂ ])作为萃取剂。合成并表征了 IL [EAPy][NTf ₂ ] 和 [OHPy][NTf _{2 ]。}通过改变提取温度、提取时间和IL与TFP溶液的质量比，探讨了制备的ILs从其水溶液中提取TFP的提取性能。_{[EAPy][NTf 2} ]和[OHPy][NTf的提取效率₂ ] 分别为 90.24% 和 88.45%，IL 与 TFP 溶液的质量比为 1.0，在 298.15K 下提取时间为 10 分钟。通过量子化学计算和分子动力学模拟研究了分子间相互作用。结果表明IL阴离子的O原子与TFP的H原子形成强氢键。此外，ILs 的阳离子上的官能团显示了 ILs 和 TFP 之间的范德华 (vdW) 相互作用。