Electrically conductive Cu(ii)-based 1D coordination polymer with theoretical insight

Abstract

A nitro-functionalized Cu(II)-based one-dimensional coordination polymer (1D CP) [Cu(nip)(4-phpy)₂]_n (1) (H₂nip = 5-nitroisophthalic acid and 4-phpy = 4-phenylpyridine) was synthesized and characterized by elemental analysis, powder X-ray diffraction (PXRD) and single crystal X-ray diffraction (SCXRD). In the solid-state self-assembly of 1, two sets of weak intermolecular forces, CH⋯π interaction among the axially bound 4-phpy ligands and π⋯π interaction among bridging nip ligands from adjacent 1D coordination polymeric chains led to 3D supramolecular packing. Interestingly compound 1 exhibited electrical conductivity in the semiconducting regime and behaved as a Schottky barrier diode.