Exploring the Interplay of Backbone Packing and Peripheral Interactions to Engineer Noncovalent Porous Crystal

Noncovalent porous crystals (NPCs) are exceptionally versatile materials, widely used in sectors like gas separation, catalysis, and disease treatment. Triptycene-based NPCs are particularly distinguished by their rigid structures and considerable internal free volumes, rendering them optimal for designing porous frameworks. However, the principles governing the formation of triptycene-based NPCs have been relatively underexplored. In this study, we synthesized a series of triptycene-based molecules, each maintaining a consistent rigid backbone while varying in side substituents. These modifications introduce a range of intermolecular interactions, establishing a comprehensive platform to systematically assess their influences on crystal architecture and stability. Notably, the variant H-NPC-NPC-CHO exemplifies a unique assembly pattern, robust stability, and potential for scalable synthesis. This research enhances our understanding of how variations in functional groups and backbone packing can affect the structural integrity and functionality of NPCs, thereby facilitating the development of custom-designed materials for specific industrial and environmental applications.