A zirconium metal-organic framework with an exceptionally high volumetric surface area.
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abstract
A zirconium metal-organic framework (MOF), PCN-111, has been synthesized by using an elongated ditopic carboxylate linker, 4,4'-(buta-1,3-diyne-1,4-diyl)dibenzoate. Single crystal X-ray diffraction characterization indicates that the noninterpenetrated microporous structure of PCN-111 is isoreticular to UIO MOFs with 12 connected Zr6O4(OH)4(CO2)12 clusters and a fcu topology. It was successfully activated through a solvent exchange with acetone followed by controlled evacuation and its gas sorption was reported. By using 77 K nitrogen adsorption isotherm and strictly applying three consistency criteria, the BET surface area for PCN-111 was calculated to be 4825 m2 g-1. Pore size distribution analysis suggests that the sizes of cavities contributing to nitrogen adsorption are predominately in the range of 15 to 20 , which are in good agreement with the two polyhedral cages (15.6 and 20.2 , respectively) in the single crystal X-ray solved structure. Owing to its relatively high crystal density (0.42 g cm-3), the volumetric surface area for PCN-111 was calculated to be 2026 m2 cm-3. The value is among the highest of all the reported ultrahigh surface area MOF materials. The exceptionally high microporosity of PCN-111 has also been validated by comparison with the simulated nitrogen adsorption isotherm derived from multipurpose simulation code MUSIC.
