Structure and luminescence of two coordination polymers with nonsymmetrical salamo-based ligand

Abstract

Two new coordination polymers (CPs), [Zn(HL)2(bipy)]n·2nCH3OH (Zn(II)-CP) and [Cd(HL)2(bipy)]n (Cd(II)-CP), were synthesized from a nonsymmetric salamo-based ligand, 4-chloro-4′-bromo-6-bromo-6′-tert-butyl-2,2′-[ethylenedioxybis(nitrilomethylidyne)]diphenol (H2L). Single crystal X-ray diffraction analysis showed that both Zn(II) and Cd(II) coordinate with the two semi-deprotonated ligands (HL)− and two 4,4′-bipyridine (bipy) auxiliary ligands, yielding slightly twisted octahedral configurations. The two one-dimensional (1-D) chain polymers are further connected by hydrogen bonds (H-bonds) to form interesting 3-D supramolecular structures. These intermolecular interactions and molecular stability were investigated by Hirshfeld surface analyses and Density Functional Theory (DFT) calculations. Luminescent studies show that these two CPs have potential application as light emitting devices.