A 2D Co(II) coordination polymer based on 1,3,5-tris(1-H-imidazol-1-yl)benzene: photocatalytic properties and theoretical analysis

A new 2D Co(II) based coordination polymer (CP), {[Co-2(tib)(2)(NO3)(3)(H2O)(2)center dot NO3](n) (1), has been synthesized using 1,3,5-tris(1-imidazolyl)benzene (tib) ligand. The single crystal X-ray diffraction study indicates that 1 possesses an infinite 2D layer, which is further extended into a 3D supramolecular network via O-H center dot center dot center dot O hydrogen bonding interactions. Additionally, the thermogravimetric analysis (TGA) of CP indicates its decomposition temperature was about 268 degrees C. The UV/Vis diffuse-reflection spectrum of 1 indicates its semiconducting nature on the basis of which the photocatalytic properties of 1 against photodecomposition of organic dyes have been studied. The possible mechanism associated with the photocatalytic activity of 1 against organic dyes is addressed using density of states (DOS) calculations. [GRAPHICS]