C-H•••π(metal-ligand ring) interaction in a mesaconate bridged Cd(II) 1-D coordination polymer: structural elucidation, theoretical study, and photophysical properties

A Cd(II)-based one-dimensional coordination polymer (1-D CP), [Cd-2(mes)(2)(4-phpy)4] (1), was prepared using mesaconic acid (H(2)mes) and 4-phenyl pyridine (4-phpy) mixed ligand system. Compound 1 has been characterized by elemental analysis, infrared spectroscopy, thermogravimetric analysis (TGA), powder X-ray diffraction (PXRD) pattern and single crystal X-ray diffraction (SCXRD) techniques. Structural elucidation reveals a 1-D chain which contains a 14-membered metal-ligand ring composed of two mes ligands and two Cd(II) centers. Further, the 1-D chains are assembled into a two-dimensional (2-D) supramolecular network by C-H center dot center dot center dot pi(metal-ligand ring) interactions. The fluorescence lifetime of 1 shows a good range of average lifetime. The theoretical band gap has also been calculated by density functional theory (DFT) computations, which shows that 1 may possess semiconducting properties. [GRAPHICS] .