Abstract
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 reveals 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 hydrogen 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 observe 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.
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