Abstract

A 3D polyhedral metal organic framework, [Cu4(L)2(H2O)4∙5DMF]n (1) (H4L = 3,5‑di(3,5‑dicarboxyphenyl)nitrobenzene), has been designed and successfully synthesized. 1 shows a 3D mfj topological framework with 1D triangular channels. The UV diffuse reflectance spectroscopy of the MOF indicates its semiconducting nature which induces photocatalytic property in the MOF. The photocatalytic property of 1 in photo-degradation of organic dyes viz. methyl violet and Rhodamine B have been investigated. The possible mechanism for the photocatalytic activity of 1 against organic dyes has been addressed using density of states (DOS) and partial DOS (pDOS) calculations.

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