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via  applying a dual-functional imidazole-carboxylic ligand 2-(4-carboxyphenyl)-4,5-imidazole dicarboxylic acid (H 4 CpIDC), a new Gd(III)-containing metal-organic framework (MOF) whose chemical formula is {[Gd(HCpIDC)(H 2 O) 2 ]·2H 2 O} n  ( 1 ) has been prepared. Due to the presence of a large amount of open metal sites along with uncoordinated imidazole groups in the pores, activated  1  displays a higher CO 2  adsorption ability than for N 2  as well as CH 4  under ideal adsorbed solution theory (IAST) selectivities [CO 2/ N 2 : 40 (298 K); CO 2 /CH 4 : 12 (298 K)], with separation performance comparably high among MOF-based sorbents for selective CO 2  capture. Furthermore, the estimated binding free energy and the calculated binding interactions suggested that the Gd complex possesses excellent biological activities and therefore, exhibits attractive potential as a pharmacology candidate.

Microporous Gd(III)-MOF with imidazole decorated pores for selective CO 2 adsorption and molecular docking study