Fabrication of a parallel interpenetrating 2D hydrogen-bonded zig-zag Zn(II) coordination polymer: Characterization and band gap study

A Zn(II) based coordination polymer (CP) [Zn2(cis,cis-muco)2(bpe)2(H2O)2] ( 1 ) (H2cis,cis-muco = cis,cis- muconic acid and bpe = 1,2-bis(4-pyridyl)ethylene) has been synthesized by slow diffusion method at room temperature. The structure determination by single crystal X-ray diffraction (SCXRD) technique re-veals that compound 1 consists of one-dimensional (1D) zig-zag chain with distorted tetrahedral Zn(II) center. The 1D chain forms two-dimensional (2D) supramolecular architecture by means of ample hy-drogen bonding interactions. Hirshfeld surface analysis effectively measures the strength of non-covalent interactions present in compound 1 . Density functional theory (DFT) computation method is used to ob-serve the semiconducting nature of compound 1 by HOMO-LUMO band-gap calculation, which is in well agreement with the value obtained experimentally by optical study. Thus the synthesized compound 1 may be utilized in the fabrication of semiconducting device.(c) 2022 Elsevier B.V. All rights reserved.

Automated summary

A Zn(II) based coordination polymer (CP) [Zn2(cis,cis-muco)2(bpe)2(H2O)2] (1) with a one-dimensional zig-zag chain and distorted tetrahedral Zn(II) center has been synthesized. The 1D chain forms a two-dimensional supramolecular architecture through hydrogen bonding interactions. The compound exhibits semiconducting nature, which is confirmed by both theoretical calculations and experimental optical study. Therefore, it can be used for the fabrication of semiconducting devices.