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Three-Dimensional Triptycene-Functionalized Covalent Organic Frameworks with hea net for Hydrogen Adsorption.

Owing to the confined building blocks and difficulty in structural identification, it remains a tremendous challenge to directionally design and synthesize three-dimensional covalent organic frameworks (3D COFs) with predetermined topologies. Herein, we report the first two cases of 3D COFs with the non-interpenetrated hea net, termed JUC-596 and JUC-597, by using the combination of tetrahedral and triangular prism building units. Due to the presence of triptycene functional group and fluorine atoms, JUC-596 exhibits an exceptional performance in the H 2 adsorption up to 305 cm 3 /g (or 2.72 wt%) at 77 K and 1 bar, which is higher than previous benchmarks from porous organic materials reported so far. Furthermore, the strong interaction between H 2 and COF materials is validated through the DFT theoretical calculation. This work represents a triumphant example of rational design of functional COFs based on a reticular chemistry guide and demonstrates its promising application in clean energy storage.