Soft corrugated channel with synergistic exclusive discrimination gating for CO2 recognition in gas mixture

Developing porous systems with high molecular recognition performance can be challenging. Here the authors present a corrugated channel system that cooperatively responds to only CO2 molecules over nine other similar gas molecules. Developing artificial porous systems with high molecular recognition performance is critical but very challenging to achieve selective uptake of a particular component from a mixture of many similar species, regardless of the size and affinity of these competing species. A porous platform that integrates multiple recognition mechanisms working cooperatively for highly efficient guest identification is desired. Here, we designed a flexible porous coordination polymer (PCP) and realised a corrugated channel system that cooperatively responds to only target gas molecules by taking advantage of its stereochemical shape, location of binding sites, and structural softness. The binding sites and structural deformation act synergistically, exhibiting exclusive discrimination gating (EDG) effect for selective gate-opening adsorption of CO2 over nine similar gas molecules, including N-2, CH4, CO, O-2, H-2, Ar, C2H6, and even higher-affinity gases such as C2H2 and C2H4. Combining in-situ crystallographic experiments with theoretical studies, it is clear that this unparalleled ability to decipher the CO2 molecule is achieved through the coordination of framework dynamics, guest diffusion, and interaction energetics. Furthermore, the gas co-adsorption and breakthrough separation performance render the obtained PCP an efficient adsorbent for CO2 capture from various gas mixtures.

Automated summary

The authors developed a flexible porous coordination polymer (PCP) and created a corrugated channel system that selectively responds to CO2 molecules over nine other similar gas molecules. This exclusive discrimination gating (EDG) effect is achieved through framework dynamics, guest diffusion, and interaction energetics. The resulting PCP demonstrates efficient CO2 capture from various gas mixtures.