Synthesis, structure and blue-light emission of a zero-dimensional zinc halide with the 4-(4-chlorophenyl)pyridinium cation.

IF 0.9 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Acta Crystallographica Section C Structural Chemistry Pub Date : 2025-08-01 Epub Date: 2025-07-14 DOI:10.1107/S2053229625005200

Ting Li, Hong Ru Fu

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引用次数: 0

Abstract

Exploring blue emission lead-free halides with high photoluminescence quantum yields (PLQYs) is a significant and challenging issue for luminescent materials. Herein, a zero-dimensional (0D) organic-inorganic hybrid halide, namely, bis[4-(4-chlorophenyl)pyridinium] tetrabromidozincate, (C₁₁H₉ClN)₂[ZnBr₄] or [HCPP]₂[ZnBr₄] [CPP is 4-(4-chlorophenyl)pyridine], was synthesized through acid solution evaporation. The compound crystallizes in the monoclinic space group C2/c. The asymmetric unit consists of a [ZnBr₄]^2- dianion cluster and two monoprotonated [HCPP]⁺ cations. The [ZnBr₄]^2- unit presents an almost undistorted tetrahedral geometry. The [HCPP]⁺ cations adopt nearly coplanar conformations with small dihedral angles of 5.05 (3)°; there are relatively strong π-π interactions between adjacent [HCPP]⁺ cations due to slipped parallel packing, with a distance of 3.81 (1) Å. Significantly, this halide exhibits highly efficient blue-light emission (385-500 nm) with a PLQY of 56.35%.

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含4-（4-氯苯基）吡啶的零维卤化锌的合成、结构和蓝光发射。

探索具有高光致发光量子产率（PLQYs）的蓝色发射无铅卤化物是发光材料的重要和具有挑战性的问题。本文通过酸溶液蒸发合成了零维（0D）有机-无机杂化卤化物，即双[4-（4-氯苯基）吡啶]四溴代酸盐，（C11H9ClN）2[ZnBr4]或[HCPP]2[ZnBr4] [CPP是4-（4-氯苯基）吡啶]。该化合物在单斜空间群C2/c中结晶。不对称单元由一个[ZnBr4]2-离子簇和两个单质子化的[HCPP]+阳离子组成。[ZnBr4]2-单元呈现出几乎不变形的四面体几何形状。[HCPP]+阳离子呈近共面构象，二面角较小，为5.05(3)°；相邻[HCPP]+阳离子之间存在较强的π-π相互作用，其距离为3.81 (1)Å。值得注意的是，该卤化物具有高效的蓝光发射（385-500 nm）， PLQY为56.35%。

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来源期刊

Acta Crystallographica Section C Structural Chemistry CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

1.60

自引率

12.50%

发文量

148

期刊介绍： Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.