Supramolecular assembly of Cu(II)-based 1D coordination polymer: Synthesis, characterization and correlation of band gap

Abstract

A Cu(II) based one-dimensional coordination polymer (1D CP) [Cu(nip)(4-clpy)2] (1), (H2nip = 5-nitroisophthalic acid and 4-clpy = 4-chloro pyridine)has been designed and well characterized by elemental analysis, infrared spectrum, single crystal X-ray diffraction (SCXRD) technique, powder X-ray diffraction (PXRD) pattern and thermogravimetric analysis (TGA). The 1D CP contains 16-member metal-ligand chelate ring which exhibits interesting Cl···π(chelate) interaction. This secondary interaction plays important role in supramolecular assembly in the crystal structure. The optical band gap has been determined and correlated with the theoretical band gap obtained by density functional theory (DFT) computation. The band gap value reveals that the compound 1 possesses semiconducting property. Photophysical property of 1 has also been examined by fluorescence and life time study.