Precision pore engineering via fit-topology assembly in a Zn-porphyrin MOF for selective C 2 H 2 capture

). Computational studies attribute the selectivity to confinement-enhanced van der Waals interactions and electrostatic alignment at the porphyrin-Zn interface and methyl-decorated channels. This work establishes a topology-driven pore engineering strategy for PMOFs, advancing the design of next-generation adsorbents for challenging gas separations.