Efficient capture of greenhouse gases (SF₆ and CO₂) is crucial for addressing global climate issues and is highly challenging. Reasonably designing MOFs with expected functions based on pore engineering can help solve the problem. In the present work, a trinuclear cluster based In(III)-MOF (HBU-21) was designed and synthesized, which shows a three-dimensional (3D) network. The BET specific surface area reaches 381.44 m²⋅g^-1. Importantly, the appropriate pore size (6.14 Å) is very suitable for selective capture of SF₆ from SF₆/N₂ mixture. The higher IAST selectivity was obtained (SF₆/N_2, v/v 10:90, 184.05; 1:99, 88.87). In addition, HBU-21 also shows high uptakes of C₂H₂ and CO₂, the capacities achieve 45.21 cm³⋅g⁻¹ and 24.36 cm³⋅g⁻¹ at 298 K 100 kPa, respectively. Theoretical simulations results indicate that the open metal site (OMS) should be responsible for the different adsorption behavior. To further validate its potential application value, recycling experiments were further implemented. The maximum adsorption capacity of SF₆ remains basically unchanged after three rounds of adsorption and desorption tests. The results provide certain reference for rational designing MOFs based on pore engineering.

有效捕获温室气体（SF ₆和CO ₂）对于解决全球气候问题至关重要，并且极具挑战性。基于孔隙工程合理设计具有预期功能的MOF有助于解决这一问题。在目前的工作中，设计并合成了基于三核团簇的In(III)-MOF (HBU-21)，其显示出三维(3D)网络。BET比表面积达到381.44 m ² ⋅g ^-1。重要的是，适当的孔径（6.14 Å）非常适合从SF ₆ /N ₂混合物中选择性捕获SF _{6 。}获得了更高的 IAST 选择性（SF ₆ /N _2，v/v 10:90, 184.05; 1:99, 88.87)。此外，HBU-21还表现出对C ₂ H ₂和CO ₂的高吸收，在298 K 100 kPa下容量分别达到45.21 cm ³ ⋅g ^-1和24.36 cm ³ ⋅g ^-1。理论模拟结果表明开放金属位点（OMS）应该是造成不同吸附行为的原因。为了进一步验证其潜在的应用价值，进一步进行了回收实验。经过三轮吸附和解吸测试， SF ₆的最大吸附量基本保持不变。研究结果为基于孔隙工程合理设计MOFs提供了一定的参考。