Molecule-based room temperature phosphorescence (RTP) materials have attracted considerable attention owing to their extensive applications in the optoelectronic and biological field. In this paper, two isostructural coordination polymers [Zn₃(TIB)₂X₆] (X ​= ​Cl, 1-Cl; X ​= ​Br, 1-Br) have been synthesised and characterized by the assemble of triangular D-A-D ligand 1,3,5-tri(1H-imidazol-1-yl)benzene (TIB) and ZnX₂ salts. The incorporation of halogen atoms play significant role in the formation of abundant C-H···X hydrogen-bonding interactions and dense structures, enable high thermal stability of the two complexes. 1-Br shows phosphorescence lifetime three order of magnitude longer than that of 1-Cl, and obviously phosphorescence emission recognized by naked eyes. The theory calculations reveal complete separation of molecular orbitals between halogen atoms and TIB ligand. Photoelectron response performance have also been studied. This work provides an efficient way to achieve long-last RTP by the incorporation of metal-bromide units in the coordination polymers.

基于分子的室温磷光（RTP）材料由于在光电和生物领域的广泛应用而备受关注。本文合成了两种同构配位聚合物[Zn ₃（TIB）₂ X ₆ ]（X = Cl，1-Cl ; X = Br，1-Br），并通过三角DAD的组装对其进行了表征。配体1,3,5-三（1H-咪唑-1-基）苯（TIB）和ZnX ₂盐。卤素原子的引入在形成大量CH···X氢键相互作用和致密结构中起着重要作用，使两种络合物具有很高的热稳定性。1-溴显示出磷光寿命比1-Cl长三个数量级，并且明显可见磷光发射被肉眼识别。理论计算表明卤素原子和TIB配体之间的分子轨道完全分离。还研究了光电子响应性能。通过在配位聚合物中掺入金属溴化物单元，这项工作提供了一种实现长效RTP的有效方法。