Supramolecular Assembly\nof Fused Macrocycle-Cage Molecules\nfor Fast Lithium-Ion Transport

We\nreport a new supramolecular porous crystal assembled\nfrom fused\nmacrocycle-cage molecules. The molecule comprises a prismatic cage\nwith three macrocycles radially attached. The molecules form a nanoporous\ncrystal with one-dimensional (1D) nanochannels. The supramolecular\nporous crystal can take up lithium-ion electrolytes and achieve an\nionic conductivity of up to 8.3 × 10<sup>–4</sup> S/cm.\nStructural analysis and density functional theory calculations reveal\nthat efficient Li-ion electrolyte uptake, the presence of 1D nanochannels,\nand weak interactions between lithium ions and the crystal enable\nfast lithium-ion transport. Our findings demonstrate the potential\nof fused macrocycle-cage molecules as a new design motif for ion-conducting\nmolecular crystals.