基于胡椒酸/4,4′-联吡啶的Zn配位聚合物的合成、结构及Hirshfeld分析

doi:10.16553/j.cnki.issn1000-985x.2024.0246

人工晶体学报 ›› 2025, Vol. 54 ›› Issue (1): 115-120.DOI: 10.16553/j.cnki.issn1000-985x.2024.0246

基于胡椒酸/4,4′-联吡啶的Zn配位聚合物的合成、结构及Hirshfeld分析

徐娅蓉¹, 赵九州¹, 赵成兄¹, 梁毅农¹, 孙赞^1,2

1.青海民族大学化学与材料科学学院,西宁 810007;
2.青藏高原资源化学与生态环境保护国家民委重点实验室,西宁 810007

收稿日期:2024-10-14 出版日期:2025-01-15 发布日期:2025-01-22
通信作者: 孙赞,博士,副教授。E-mail:sunzan_2006@126.com
作者简介:徐娅蓉(1998—),女,甘肃省人,硕士研究生。E-mail:2723687124@qq.com
基金资助:
青海省自然科学基金(2020-ZJ-964Q)

Synthesis, Structure and Hirshfeld Analysis of Zn Coordination Polymer Based on 1,3-Benzodioxole-5-Carboxylic Acid and 4,4′-Bipyridine

XU Yarong¹, ZHAO Jiuzhou¹, ZHAO Chengxiong¹, LIANG Yinong¹, SUN Zan^1,2

1. School of Chemistry and Materials Science, Qinghai Minzu University, Xining 810007, China;
2. Key Laboratory of Resource Chemistry and Eco-environmental Protection in Tibetan Plateau, State Ethnic Affairs Commission, Xining 810007, China

Received:2024-10-14 Online:2025-01-15 Published:2025-01-22

摘要/Abstract

摘要： 利用胡椒酸(HBDCA)和4,4′-联吡啶(4,4′-bpy)与Zn(NO₃)₂通过溶剂热反应,成功合成了一例锌配位聚合物[Zn(BDCA)(4,4′-bpy)_0.5]_n(I),并通过X射线单晶衍射(SXRD)、元素分析(EA)、红外光谱(IR)、热重分析(TGA)、X射线粉末衍射(XRD)等手段对其结构进行表征。配合物I属于单斜晶系,I₂/a空间群,晶胞参数为a=1.321 96(11) nm,b=1.019 64(9) nm,c=1.672 83(14) nm和β=100.771(6)°,分子式为C₂₆H₁₈N₂O₈Zn。在配合物I中,中心Zn原子位于扭曲的四面体几何构型中,配体连接金属形成1D链结构。Hirshfeld分析表明,链与链之间可通过π…π堆积和C—H…O相互作用形成3D超分子结构。此外,还研究了配合物I的紫外-可见漫反射光谱及固态荧光性能。

关键词: 锌配位聚合物, 溶剂热合成, 晶体结构, Hirshfeld分析, 紫外-可见漫反射光谱, 固态荧光

Abstract: A Zn coordination polymer [Zn(BDCA)(4,4′-bpy)_0.5]_n (I) was successfully synthesized by solvent thermal synthesis based on 1,3-benzodioxole-5-carboxylic acid (HBDCA), 4,4′-bipyridine (4,4′-bpy) and Zn(NO₃)₂. The structure was characterized by X-ray single crystal diffraction (SXRD), elemental analysis (EA), infrared spectroscopy (IR), thermogravimetric analysis (TGA) and X-ray powder diffraction (XRD). The results indicate that complex I belongs to the monoclinic crystal system, I₂/a space group, with lattice parameters of a=1.321 96 (11) nm, b=1.019 64 (9) nm, c=1.672 83 (14) nm and β=100.771 (6)°. The molecular formula is C₂₆H₁₈N₂O₈Zn. In complex I, the central Zn atom is located in a distorted tetrahedral geometry, and the ligand connects the metal to form a 1D chain structure. Hirshfeld analysis show that the chains can interact with each other through π…π stacking and C—H…O interactions to form a 3D supramolecular structure. In addition, the UV-vis diffuse reflectance spectra and solid-state fluorescence properties of complex I were also studied.

Key words: Zn coordination polymer, solvent thermal synthesis, crystal structure, Hirshfeld analysis, UV-vis diffuse reflectance spectrum, solid-state fluorescence

中图分类号:

O641.4

徐娅蓉, 赵九州, 赵成兄, 梁毅农, 孙赞. 基于胡椒酸/4,4′-联吡啶的Zn配位聚合物的合成、结构及Hirshfeld分析[J]. 人工晶体学报, 2025, 54(1): 115-120.

XU Yarong, ZHAO Jiuzhou, ZHAO Chengxiong, LIANG Yinong, SUN Zan. Synthesis, Structure and Hirshfeld Analysis of Zn Coordination Polymer Based on 1,3-Benzodioxole-5-Carboxylic Acid and 4,4′-Bipyridine[J]. Journal of Synthetic Crystals, 2025, 54(1): 115-120.

参考文献

[1] LANCHEROS A, GOSWAMI S, ZARATE X, et al. New pillar-MOF with nitrogen-donor sites for CO₂ adsorption[J]. Crystal Growth & Design, 2024, 24(14): 5898-5905.
[2] 苏小红, 哈斯其美格, 魏玉梅. 含萘环半刚性多羧酸配体及其配合物的合成、结构及性能研究[J]. 当代化工研究, 2021(19): 1-3.
SU X H, HASI Q, WEI Y M. Synthesis, crystal structures and properties of semi-rigid polycarboxylic ligand containing naphthalene ring and its cobalt complex[J]. Modern Chemical Research, 2021(19): 1-3 (in Chinese).
[3] YAN T A, LAN Y S, LIU D H, et al. Large-scale screening and design of metal-organic frameworks for CH₄/N₂ separation[J]. Chemistry- An Asian Journal, 2019, 14(20): 3688-3693.
[4] XIONG C H, LI L, YANG M H, et al. Rationally designed ionically conductive metal-organic frameworks for ultrasensitive methamphetamine analogs sensor[J]. Advanced Functional Materials, 2024, 34(29): 2316511.
[5] CHEN S S, ZHANG Z Y, LIAO R B, et al. A photoluminescent Cd(II) coordination polymer with potential active sites exhibiting multiresponsive fluorescence sensing for trace amounts of NACs and Fe³⁺ and Al³⁺ ions[J]. Inorganic Chemistry, 2021, 60(7): 4945-4956.
[6] SHUKLA V, AHMAD M, NAYAK G C, et al. High cell volume Zn-metal-organic framework: unveiling the pseudo-capacitor properties and selective colorimetric recognition of oxyanions[J]. Crystal Growth & Design, 2024, 24(9): 3977-3992.
[7] 邓奕, 王亚轩, 胡磊, 等. D-π-A型三联吡啶衍生物及其锌配合物的合成及性质研究[J]. 商丘师范学院学报, 2024, 40(9): 31-35.
DENG Y, WANG Y X, HU L, et al. Synthesis and properties of a D-π-a terpyridine derivative and its zinc complex[J]. Journal of Shangqiu Normal University, 2024, 40(9): 31-35 (in Chinese).
[8] YIN B B, CAO Y, YUAN K X, et al. Two multi-functional luminescent complexes for selective and sensitive detection of metal ions and antibiotics[J]. Inorganic Chemistry Communications, 2024, 169: 112981.
[9] SUEBPHANPHO J, BOONMAK J. Luminescence turn-on sensor for the selective detection of trace water and methanol based on a Zn(ii) coordination polymer with 2, 5-dihydroxyterephthalate[J]. RSC Advances, 2024, 14(14): 9781-9790.
[10] GUO X Z, ZHANG J, LIN B, et al. A bifunctional 3D porous MOF with potential for fluorescence sensing of picric acid and natural gas purification[J]. Journal of Molecular Structure, 2024, 1303: 137569.
[11] BURLAK P V, SAMSONENKO D G, KOVALENKO K A, et al. Structural polymorphism and luminescence properties of zinc(II) and cobalt(II) MOFs with rigid and flexible ligands[J]. CrystEngComm, 2024, 26(36): 5039-5045.
[12] KHAN S, SHUKLA A K, BHATTACHARYA A, et al. Harnessing biomolecule-infused 2D multi-layered luminescent Zn(II) coordination polymer for electrochemical energy storage[J]. Inorganic Chemistry, 2024, 63(39): 18438-18447.
[13] GANG R T, LUO R, WANG W, et al. Cd(II)-based coordination polymer as a multiresponsive fluorescent sensor for efficiently detecting Zn²⁺, Cr₂O^2-₇, and phenylglyoxylic acid[J]. Crystal Growth & Design, 2024, 24(17): 7212-7221.
[14] ZHENG J, SUN L Y, XUE Y, et al. Construction of pillared-layer metal-organic frameworks as an all-visible-light switchable photocatalyst for aqueous Cr(VI) reduction[J]. Inorganic Chemistry, 2024, 63(34): 15841-15850.
[15] FU X P, LIU Q Y, WANG Y L. Metal-organic framework featuring cubic caged structures for one-step ethylene purification from ethylene/ethane mixtures[J]. Inorganic Chemistry, 2024, 63(26): 12309-12315.
[16] SHELDRICK G. SHELXS version-2018/3 and SHELXL version-2018/3: programs for crystal structure solution and refinement[CP]. University of Gottingen, Germany, 2018.
[17] MENG Y R, XU M J, LI S F, et al. Enhancing two-photon excited fluorescence of metal-organic framework single crystals through modulation of inorganic nodes[J]. Inorganic Chemistry, 2024, 63(38): 17856-17863.
[18] GAO Z H, FU L S, DONG G Y. Two robust zinc(II) complexes as multi-functional luminescence sensor for detection of Fe³⁺, Cr₂O^2-₇, and CrO^2-₄ ions in water[J]. Polyhedron, 2024, 256: 117006.
[19] HAN Q, LIU S, BAO S Q, et al. Flexible ligands constructed metal-organic frameworks as visual test paper for fluorescent detection[J]. Crystal Growth & Design, 2024, 24(19): 8092-8100.
[20] 王集锦, 普文冉, 马骏, 等. 紫外可见漫反射光谱和Tauc plot方法分析无机Ruddlesden-Popper钙钛矿带隙[J]. 大学物理实验, 2022, 35(4): 13-16.
WANG J J, PU W R, MA J, et al. Analysis of band gap of inorganic ruddlesden-popper perovskite by ultraviolet-visible diffuse reflectance spectroscopy and tauc plot method[J]. Physical Experiment of College, 2022, 35(4): 13-16 (in Chinese).
[21] 褚鑫. 基于多功能氨基磺基芳香羧酸类配体配位聚合物的设计、合成、结构及性质[D]. 扬州: 扬州大学, 2018.
CHU X. Design, synthesis, structure and properties of coordination polymers based on multifunctional amino sulfoaromatic carboxylic acid ligands[D]. Yangzhou: Yangzhou University, 2018 (in Chinese).

基于胡椒酸/4,4′-联吡啶的Zn配位聚合物的合成、结构及Hirshfeld分析

Synthesis, Structure and Hirshfeld Analysis of Zn Coordination Polymer Based on 1,3-Benzodioxole-5-Carboxylic Acid and 4,4′-Bipyridine

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