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Abstract <p>Layer diffusion of 3,5-bis(4-pyridyl)-1<i>H</i>-1,2,4-triazole (Hbpt) in methanol on an aqueous solution of zinc nitrate and ammonium thiocyanate leads to a novel zinc coordination polymer (CP), Zn(Hbpt)(SCN)<sub>2</sub> (<b>1</b>). Single-crystal X-ray diffraction reveals that CP <b>1</b> exhibits a novel 1D helical chain structure constructed by Hbpt ligands linking zinc cations with isothiocyanate anions as terminal ligands. Photoluminescence studies and DFT calculations indicate that the emission of <b>1</b> originates from the coupling of two types of ligand-to-ligand charge transfer. This study provides a fundamental insight into the nature of isothiocyanate anion on the photoluminescence and offers a pathway for designing luminescent materials.</p>

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A Novel Zinc Coordination Polymer with Blue Photoluminescence

  • 期刊论文

  • 发表日期：

    2026年2月1日

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  • Chang Liu,
  • Zhen Zhao,
  • Shao-Dong Su,
  • Xiao-Lin Liu,
  • Xi Liu

摘要

Abstract

Layer diffusion of 3,5-bis(4-pyridyl)-1H-1,2,4-triazole (Hbpt) in methanol on an aqueous solution of zinc nitrate and ammonium thiocyanate leads to a novel zinc coordination polymer (CP), Zn(Hbpt)(SCN)2 (1). Single-crystal X-ray diffraction reveals that CP 1 exhibits a novel 1D helical chain structure constructed by Hbpt ligands linking zinc cations with isothiocyanate anions as terminal ligands. Photoluminescence studies and DFT calculations indicate that the emission of 1 originates from the coupling of two types of ligand-to-ligand charge transfer. This study provides a fundamental insight into the nature of isothiocyanate anion on the photoluminescence and offers a pathway for designing luminescent materials.