Molecular Mechanism Behind the Capture of Fluorinated Gases by Metal–Organic Frameworks

• MOFs demonstrate exceptional selective sorption for F-gases, enabling efficient capture and separation of azeotropic and near-azeotropic mixtures. • Molecular interactions (e.g., hydrogen bonding, halogen bonding, van der Waals forces) govern adsorption selectivity and capacity. • Structural design toolboxes for MOFs (pore size, functionalization, open metal sites) are critical for tailoring F-gas separation performance. • Challenges remain in scaling up MOF-based separation technologies for industrial F-gas recovery and climate change mitigation.