Dicopper(II) paddle-wheel metal-organic frameworks for high propyne storage under ambient conditions.

Fluorinated dicopper(II) metal-organic framework JXNU-16F with 1,3,5-tri(3,5-bifluoro-4-carboxyphenyl)benzene ligands and nonfluorinated JXNU-16 exhibit high propyne uptakes of 443 and 496 cm 3 g -1 under ambient conditions, respectively. Their remarkable propyne uptakes result from suitable pore spaces and strong propyne⋯propyne interactions amongst the adsorbed propyne molecules, as revealed by computational simulations.