Chlorinated volatile organic compounds (VOCs), of which dichloromethane (DCM) has become one of the main components because of its extensive use and strong volatility, are recognized as extremely hazardous and refractory pollutants in the atmosphere. The efficient treatment of DCM is of great significance to the protection of environment and human health. In this work, the strategy of DCM capture with deep eutectic solvents (DESs) with different hydrogen bond acceptors (HBAs) and hydrogen bond donors (HBDs) was proposed and systematically investigated. The experimental results show that tetrabutylphosphonium chloride: levulinic acid ([P₄₄₄₄][Cl]-LEV) presents the most excellent DCM absorption capacity among all DESs studied and considerable capacity in [P₄₄₄₄][Cl]-LEV (1:2) with 899 mg DCM/g DES (5.58 mol DCM/mol DES) at 30 °C and DCM partial pressure of 0.3 bar can be achieved. The microscopic absorption mechanism is explored by ¹HNMR and FT-IR spectra as well as quantum chemistry calculations, indicating that the absorption is a physical process. The interaction energy analysis suggests that the greater the interaction energy between DES and DCM, the greater the saturated absorption capacity of DCM. The hydrogen bond (HB) contributes most to the weak interaction between DCM and HBA/HBD, and both HBA and HBD play an important role in the absorption of DCM.

氯代挥发性有机化合物（VOCs），其中二氯甲烷（DCM）因其用途广泛、挥发性强，已成为主要成分之一，被公认为大气中极为危险和难降解的污染物。DCM的高效治疗对保护环境和人类健康具有重要意义。在这项工作中，提出并系统地研究了具有不同氢键受体（HBA）和氢键供体（HBD）的深共晶溶剂（DES）捕获DCM的策略。实验结果表明，四丁基氯化鏻：乙酰丙酸 ([P ₄₄₄₄ ][Cl]-LEV) 在所有研究的 DES 中表现出最优异的 DCM 吸收能力，并且在 [P ₄₄₄₄][Cl]-LEV (1:2) 与 899 mg DCM/g DES (5.58 mol DCM/mol DES) 在 30 °C 和 0.3 bar 的 DCM 分压下可以实现。通过¹ HNMR和FT-IR光谱以及量子化学计算探索了微观吸收机制，表明吸收是一个物理过程。相互作用能分析表明，DES与DCM之间的相互作用能越大，DCM的饱和吸收能力越大。氢键（HB）对 DCM 和 HBA/HBD 之间的弱相互作用贡献最大，HBA 和 HBD 在 DCM 的吸收中起重要作用。