A 3D hydrogen-bonded metal-organic framework, [Cu(apc)] (, Hapc = 2-aminopyrimidine-5-carboxylic acid), was synthesized via a solvothermal reaction. The activated with permanent porosity exhibits a moderate uptake of 1.52 wt% of hydrogen gas at 77 K. The appropriate BET surface areas and decoration of the internal polar pore surfaces with groups that form extensive hydrogen bonds offer a more favorable environment for selective CH adsorption, with a predicted selectivity for CH/CH of around 101 in CH/CH (5:95, /) mixtures at 273 K under 100 kPa. The molecular model calculation demonstrates a C-H···π interaction and a van der Waals host-guest interaction of CH with the pore walls. This work provides a strategy for the construction of 3D hydrogen-bonded MOFs, which may have great potential in the purification of natural gas.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10820768 | PMC |
http://dx.doi.org/10.3390/molecules29020424 | DOI Listing |
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