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A new metal-organic coordination polymer [Zn 2 (sedc) 2 (dabco)] ( 1se ; sedc 2- = selepophene-2,5-dicarboxylate; dabco = 1,4-diazabicyclo[2.2.2]octane) was synthesized and characterized by single-crystal X-ray diffraction analysis. This MOF is based on {Zn 2 (OOCR) 4 N 2 } paddle wheels and is isoreticular to the family of [Zn 2 (bdc) 2 (dabco)] derivatives ( 1b ; bdc 2- = 1,4-benzenedicarboxylate) with pcu topology. The gas adsorption measurements revealed that 1se shows a 15% higher CO 2 volumetric uptake at 273 K and 28% higher CO 2 uptake at 298 K (both at 1 bar) compared to the prototypic framework 1b . Methane and nitrogen adsorption at 273 K was also investigated, and IAST calculations demonstrated a pronounced increase in CO 2 /CH 4 and CO 2 /N 2 selectivity for 1se , compared with 1b . For example, the selectivity factor for the equimolar CO 2 /CH 4 gas mixture at 1 bar = 15.1 for 1se and 11.9 for 1b . The obtained results show a remarkable effect of the presence of selenium atom on the carbon dioxide affinity in the isoreticular metal-organic frameworks with very similar geometry and porosity.

A Selenophene-Incorporated Metal–Organic Framework for Enhanced CO2 Uptake and Adsorption Selectivity