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Journal of the Iranian Chemical Society

, Volume 16, Issue 1, pp 163–168 | Cite as

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

  • Dong-Sheng LiuEmail author
  • Hui-ying Wang
  • Ze-lin Luo
  • Zhi-jun Qiu
  • Gui-ting Lu
Original Paper

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.

Keywords

Coordination polymer Topological network Crystal structure Ferroelectric and optical properties 

Notes

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.

Supplementary material

13738_2018_1493_MOESM1_ESM.doc (735 kb)
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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Copyright information

© Iranian Chemical Society 2018

Authors and Affiliations

  • Dong-Sheng Liu
    • 1
    Email author
  • Hui-ying Wang
    • 1
  • Ze-lin Luo
    • 1
  • Zhi-jun Qiu
    • 1
  • Gui-ting Lu
    • 1
  1. 1.The Key Laboratory of Coordination Chemistry of Jiangxi Province, Institute of Applied Chemistry, School of Chemistry and Chemical EngineeringJinggangshan UniversityJi’anPeople’s Republic of China

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