The separation of C₂H₂/CO₂ is very important but still a great challenge in industry because of their very similar molecular sizes and physical properties. Considering that Cu^I site can form both π complex interactions and π back donation interactions with C₂H₂, herein, we achieved high C₂H₂ packing density and efficient C₂H₂/CO₂ separation by anchoring Cu^I ions with synergistic dual-pyrazol sites of MOF-303. The adsorption experiments show that the resulting Cu^I@MOF-303 could quickly adsorb C₂H₂ in the low-pressure region, and the C₂H₂ packing density is up to 477.9 g/L at 1 bar and 298 K, which is higher than any reported adsorbents. The density functional theory calculations show that π back donation of Cu^I site in Cu^I@MOF-303 can strengthen the interaction between Cu^I@MOF-303 and C₂H₂ by providing electrons from d orbitals of Cu^I site to the unoccupied antibonding π* orbital of C₂H₂ molecule. In addition, the C₂H₂/CO₂ selectivity of Cu^I@MOF-303 at 1 bar is 25.9, which is 6.0 times of the original MOF-303. Breakthrough experiments show that Cu^I@MOF-303 has good separation performance for C₂H₂/CO₂ gas mixtures, featuring both high C₂H₂ uptake and high separation factor of 10.6. Satisfyingly, fuel-grade C₂H₂ (purity ＞ 98.2 %, 82.83 cm³/cm³) can be obtained after desorption. Moreover, Cu^I@MOF-303 also has good C₂H₂ adsorption cycle stability and C₂H₂/CO₂ separation regeneration ability, which indicates that it has great potential in industrial C₂H₂ purification.

_{C 2} H ₂ /CO ₂的分离非常重要，但由于它们的分子大小和物理性质非常相似，因此在工业中仍然是一个巨大的挑战。考虑到Cu ^{I位点可以与C} ₂ H ₂形成π配合物相互作用和π返给相互作用，本文中，我们通过协同锚定Cu ^I离子实现了高C ₂ H ₂堆积密度和有效的C ₂ H ₂ /CO ₂分离。 MOF-303 的双吡唑位点。吸附实验表明，所得的Cu ^I @MOF-303可以快速吸附C₂ H ₂在低压区，C ₂ H ₂堆积密度在1 bar和298 K下高达477.9 g/L，高于任何报道的吸附剂。密度泛函理论计算表明，Cu ^{I @MOF-303中Cu I}位点的π回馈可以通过将电子从Cu ^I位点的d轨道提供给空位来增强Cu ^I @MOF-303和C ₂ H ₂之间的相互作用。 C ₂ H ₂分子的反键π*轨道。此外，Cu ^I的C ₂ H ₂ /CO _2选择性@MOF-303 在 1 bar 时为 25.9，是原始 MOF-303 的 6.0 倍。突破性的实验表明Cu ^I @MOF-303对C ₂ H ₂ /CO ₂气体混合物具有良好的分离性能，具有高C ₂ H ₂吸收率和10.6的高分离因子。解吸后得到了令人满意的燃料级C ₂ H ₂ (纯度＞98.2％，82.83cm ³ /cm ^{3 )。}此外，Cu ^I @MOF-303还具有良好的C ₂ H ₂吸附循环稳定性和C ₂ H ₂ /CO ₂分离再生能力强，表明其在工业C ₂ H ₂纯化方面具有巨大潜力。