Litcius/Paper detail

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

Lin Dou, Jie-Qiong Cai, Le-Chuan Feng, Wen‐Kui Dong, Jingui Duan

2022Journal of Coordination Chemistry52 citationsDOI

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.

Topics & Concepts

ChemistryCrystallographyHydrogen bondIntermolecular forceLigand (biochemistry)Supramolecular chemistryDeprotonationLuminescenceDensity functional theoryCrystal structureOctahedronPolymerOctahedral molecular geometryBipyridineMoleculeComputational chemistryIonReceptorOrganic chemistryMaterials scienceBiochemistryOptoelectronicsMetal-Organic Frameworks: Synthesis and ApplicationsCrystal structures of chemical compoundsMagnetism in coordination complexes