Two New 3D Metal-Organic Frameworks Constructed by Polycarboxylate and N-Donor Ligands: Crystal Structure, Photocatalytic Performances, and DFT Calculation

Two new metal-organic frameworks, [Zn(Bdc)(Bip)∙H 2 O] ( I ) and {[Cd 2 (Btc) 2 (H 2 O) 2 ](H 2 Bib)· 6H 2 O} ( II ) (H 2 Bdc = 1,3-benzenedicarboxylic acid, H 3 Btc = 1,3,5-benzenetricarboxylic acid, Bib = 1,4-bis(2-methylimidazol-1′-yl)butane, Bip = 1,5-bis(2-methylimidazol-1-yl)pentane), have been successfully synthesized solvothermally and characterized by elemental analyses, UV−Vis spectroscopy, photocatalysis and single crystal X-ray diffraction (CIF files CCDC nos. 1982779 ( I ) and 1982780 ( II ). Complex I exhibits a 3-fold interpenetrating motif having dmp net with {6 5 ·8} topology, complex II possesses 3D anionic network comprising of 3,6-connected {4·6 2 } 2 {4 2 ·6 10 ·8 3 } topology. These MOFs could be taken as photocatalysts for degrading the methyl violet (MV), in which indicate their effective photocatalytic behavior for the degradation of MV. In addition, the suggested photocatalytic mechanism through density of states plots for I and II was discussed.