A 3D metal-organic framework with isophthalic acid linker for photocatalytic properties

The efficient removal of organic pollutants from wastewater is a hot research topic due to its ecological and environmental importance. Herein, by using the ligand-truncation and functionalization strategy, a Cu(II)-based 3D metal-organic framework (MOF), [Cu-2(L1)center dot 5DMF](n) (1) (H(4)L1 = 3,5-di(3,5-dicarboxyphenyl)nitrobenzene), has been designed, prepared and characterized. The single crystal X-ray diffraction results indicates that MOF 1 possess a 3D framework with 1D hexangular channels. The MOF 1 has been used as photocatalyst for the photodegradation of organic dyes viz. methyl violet (MV) and Rhodamine B (Rh B). The photocatalytic results indicated that 1 offered better photocatalysis towards the photodegradation of MV in comparison to Rh B. The probable mechanism for the photocatalytic activity of 1 has been addressed using density of states (DOS) and partial DOS calculations.