Porous coordination polymers (PCPs), constructed from organic linkers and metal ions, can provide special pore environments for selective CO2 capture. Although many PCPs have been reported, a rational design for identifying PCPs that adsorb CO2 molecules with a low binding energy, high separation ability and high chemical stability remains a great challenge. Here, we propose and validate, experimentally and computationally, a new PCP, [La(BTN)DMF]·guest (PCP-1⊃guest), that has a large aromatic organic surface and a low binding energy for high CO2 separation from four-gas mixtures (CO2-N2-O2-CO) at ambient temperature. In addition, it shows good water and chemical stability; in particular, it is stable from pH = 2 to 12 at 100 °C, which is unprecedented for carboxylate-based PCPs.
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