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Synthesis, structure and properties of a multifunctional inorganic–organic hybrid mercury(II) coordination polymer: [Hg2Cl2(mtz)2(H2O)]n

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Abstract

A new mercury coordination polymer was successfully prepared from HgCl2 and 5-methyltetrazole (Hmtz) and characterized by elemental analysis, thermal analysis, luminescence, theoretical calculation, powder X-ray diffraction and single-crystal X-ray diffraction. Complex 1 is a three-dimensional (3D) hybrid framework constructed from 1D double mercury halide chains and mtz−, and it has an unprecedented ‘AFUQOH’ topological network. Time-dependent density functional theory (TDDFT) calculations reveal that the mechanisms of the fluorescence emission of 1 are dominantly resulted from the metal-to-ligand charge transfer (MLCT) and ligand-to-metal charge transfer (MLCT). Impressively, acentric complex 1 displays not only second harmonic generation (SHG) response but also ferroelectric behaviors.

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Acknowledgements

This work is supported by the NSFC (21461012), the Natural Science Jiangxi Province (143ACB21025 and 20181BAB203003), the Department of Education of Jiangxi Province (GJJ160739) and College Students’ innovation training program.

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Authors and Affiliations

  1. The Key Laboratory of Coordination Chemistry of Jiangxi Province, Institute of Applied Chemistry, School of Chemistry and Chemical Engineering, Jinggangshan University, Ji’an, 343009, Jiangxi, People’s Republic of China

    Dong-Sheng Liu, Hui-ying Wang, Ze-lin Luo, Zhi-jun Qiu & Gui-ting Lu

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  1. Dong-Sheng Liu
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  2. Hui-ying Wang
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Correspondence to Dong-Sheng Liu.

Electronic supplementary material

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13738_2018_1493_MOESM1_ESM.doc

Additional structural diagrams, powder patterns, thermogravimetric analysis, and plot of leakage current. CCDC 1820849 contains the supplementary crystallographic data for 1, respectively. (DOC 735 KB)

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Liu, DS., Wang, Hy., Luo, Zl. et al. Synthesis, structure and properties of a multifunctional inorganic–organic hybrid mercury(II) coordination polymer: [Hg2Cl2(mtz)2(H2O)]n. J IRAN CHEM SOC 16, 163–168 (2019). https://doi.org/10.1007/s13738-018-1493-x

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