Efficient <scp> CO ₂ </scp> / <scp> N ₂ </scp> selective adsorption using benzenedipyrazolate‐based metal–organic frameworks ( <scp>BDP</scp> ‐ <scp>MOFs</scp> )

Abstract This work demonstrates efficient selective adsorption of CO 2 from N 2 using two Zn‐based BDP MOFs functionalized with imidazole and zwitterionic groups. In the single‐component gas adsorption isotherms, both N ‐ZnMOF and Z ‐ZnMOF show the selective adsorption of CO 2 over N 2 and CH 4 . Zn(BDP) with imidazole integration demonstrated the same behavior in adsorption isotherms; however, the imidazole‐functionalized Zn(BDP) ( N ‐ZnMOF ) exhibits similar adsorption behavior to the parent Zn(BDP) framework, whereas incorporating a zwitterionic group ( Z ‐ZnMOF ) leads to a notably different adsorption behavior. Both MOFs exhibited high selectivity for CO 2 over N 2 at room temperature and 25 bar in power plant and direct air condition. This work suggests a new potential application for gas selective adsorption and storage using BDP‐based MOFs integrated with imidazole and zwitterionic groups.