有机金属分子笼是超分子化学中的重要研究对象，其在分子识别、分子催 化、分离纯化、药物运输等方面有重要应用。碗烯由于其独特的曲面拓扑结构，是构筑超分子笼的良好基元。本论文针对现有分子笼在分子识别方面所存在的方法复杂、耗时及分辨率不足等问题，设计合成了一种含氟碗烯基配体，其在银离子的诱导下自组装形成分子笼。截至目前，我们以 2-羟基-5-硝基吡啶为原料，通过 7 步反应，以 7.3 %的总产率得到目标含氟碗烯基配体，对银离子诱导下的成笼条件进行了初步探索，并对目标含氟碗烯基金属分子笼的结构进行了理论计算。预期基于碗烯基分子笼的构象平衡，该分子笼可利用氟原子作为探针，并结合构象分布系数，构建基于 ¹⁹F NMR 的客体分子指纹库。该研究有望为分子识别提供一种快速简便的高分辨方法。

Metallo-organic cages are important research objects in supramolecular chemistry. Such supramolecular species possess a wide range of applications in catalysis, molecular separation, reactive intermediate storage and drug delivery. Corannulene is an excellent building block for constructing supramolecular cages due to its unique curved topology. In this thesis, we designed and synthesized a fluorinated corannulene-based ligand, which is designed to self-assembly to form a molecular cage under the induction of silver ions, to address the problems such as the lack of resolution of the existing molecular cages in molecular recognition. Up to now, we have obtained the target fluorinated corannulene moiety in 7.3 % overall yield by a 7-step reaction using 2-hydroxy-5-nitropyridine as the starting material. We performed a preliminary exploration of the cage formation under silver ion induction, and carried out theoretical predictions on the structures of the target molecular cage. It is expected that, based on the conformational equilibrium of the corannulene molecular cage, the fluorine atom can be used as a probe to test the selectivity of the cage for different guest molecules and the ¹⁹F NMR-based guest fingerprint library can be constructed after the conformational distribution coefficients is combined. This study is likely to provide a fast and easy method for high-resolution molecular identification.