Citation: Feiyang TIAN, Xinran CHEN, Mindao ZHANG, Kai CHEN. Synthesis, Hirshfeld surface analysis, and properties of a tetramethylcucurbit[6]uril-based supramolecular self-assembly[J]. Chinese Journal of Inorganic Chemistry, ;2026, 42(11): 2429-2437. doi: 10.11862/CJIC.20260223 shu

Synthesis, Hirshfeld surface analysis, and properties of a tetramethylcucurbit[6]uril-based supramolecular self-assembly

Feiyang TIAN ^{1, 2} ,
Xinran CHEN ¹ ,
Mindao ZHANG ¹ ,
Kai CHEN ^{1, 3,,}

1.
Collaborative Innovation Center of Atmospheric Environment and Equipment Technology, Jiangsu Key Laboratory of Intelligent Atmospheric Environment Monitoring and Carbon-Pollution Co-control, Nanjing University of Information Science & Technology, Nanjing 210044, China
2.
School of Chemistry and Chemical Engineering, Huangshan University, Huangshan, Anhui 245041, China
3.
State Key Laboratory of Coordination Chemistry, School of Chemistry, Nanjing University, Nanjing 210023, China

Corresponding author: Kai CHEN, catqchen@163.com
Received Date: 15 July 2026
Revised Date: 11 October 2026

Figures(6)

Herein, we report the synthesis of a novel tetramethylcucurbit^[6]uril (TMeQ[6])-based supramolecular self-assembly with a formula of (H₃O)(1,5-NDS)_0.5·TMeQ[6]·13H₂O (1) by introducing 1,5-naphthalenedisulfonic acid (1,5-H₂NDS) as the structure-directing agent to react with TMeQ[6] under hydrothermal conditions. Single-crystal X-ray diffraction (SCXRD) measurement reveals that TMeQ[6] molecules are assembled into 1D zig-zag supramolecular chains and then 2D wave-like supramolecular layers via hydrogen bonds, which further interact with the 1,5-NDS^2- sulfonate anionic guest through the noncovalent interactions between the outer surface of TMeQ[6] and 1,5-NDS^2- to generate the final 3D supramolecular framework. Because the structure contains “free” uncoordinated portals, self-assembly 1 showed Cs⁺ capture capacity, as evidenced by the highly similar crystal structure of Cs⁺-loaded self-assembly 2, except that one Cs⁺ cation sits at the center of one TMeQ[6] portal. Furthermore, fluorescence sensing experiments also revealed that self-assembly 1 may act as a ratiometric fluorescent sensor for sulfadiazine (SD), ciprofloxacin (CFX), and levofloxacin (LFX).
- tetramethylcucurbit[6]uril,
- 1,5-naphthalenedisulfonic acid,
- outer-surface interaction,
- Cs⁺ capture,
- fluorescence sensing,
- Hirshfeld surface analysis
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