Tetrazole-functionalized Cu-MOF for efficient C2H2/CO2 separation

Abstract

To separate acetylene (C2H2) and carbon dioxide (CO2) with similar properties, discovering new metal-organic framework (MOF) adsorbents is vital to advancing practical applications. Herein, we report a three-dimensional Cu-MOF, [Cu(BDC-tetrazole)] (UPC-115), with 2-(1H-tetrazol-1-yl)terephthalic acid (H2BDC-tetrazole) as ligand. The functionalization of tetrazole not only provides abundant adsorption sites, but also involves one nitrogen atom in coordination to generate stable structure with one-dimensional rhombic channels of 6.6 Å × 5.4 Å. Static adsorption isotherms, dynamic breakthrough curves, and computational simulations collaboratively demonstrate the efficient C2H2/CO2 separation performance of UPC-115.