| Abstract: | By using a new 4,6‐bis(imidazol‐1‐yl) isophthalic acid ligand (H2bimip) with imidazolyl and carboxyl bifunctional groups, three new MOFs, Co(bimip)(H2O)0.5] ? 0.5 H2O ( 1 ), Zn(bimip)] ( 2 ), and Mn(bimip)(H2O)2] ? H2O ( 3 ), have been solvothermally synthesized in different solvent systems. H2bimip displays three different coordinated modes through the imidazolyl and carboxyl groups, and different cis–cis and trans–cis configurations, which result in distinct 3D topological frameworks: a (4,8)‐connected scu net for 1 ; a twofold interpenetrated (4,4)‐connected pts net for 2 ; and a four‐connected sra net for 3 . Compounds 1 and 3 show antiferromagnetic properties, and 2 emits strong solid‐state blue luminescence. Compound 1 shows good chemical stability in acidic and basic environments and in boiling water. Additionally, the polar channels in 1 , which are decorated by uncoordinated carboxylate O atoms and imidazolyl fragments, allow it to adsorb CO2 molecules selectively over CH4, and the CO2 binding sites in the framework were distinguished by molecular simulations. |
