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Self-assembly, interlocking, interconversion and anion-binding catalysis in phenoxazine-based Pd2L4 and Pd4L8 coordination cages

Qiong‐Yan Hong, Bin Huang, Meng‐Xiang Wu, Junyao Jiang, Hai‐Bo Yang, Xiao‐Li Zhao, Guido H. Clever, Xueliang Shi

2025Nature Communications28 citationsDOIOpen Access PDF

Abstract

Interpenetration is a phenomenon frequently encountered in self-assembled Pd2L4-type coordination cages, while the mechanism of the interpenetration process remains unclear. Here we show the synthesis and solvent-mediated interconversion of highly soluble phenoxazine-based monomeric cage 1 and corresponding interlocked dimer 2. We succeed in the isolation and single-crystal structure analysis of both 1 and 2 with the same guest anion by changing the solvents utilized in self-assembly. The monomeric-to-dimeric cage conversion occurs by heating in weakly coordinating solvents, while dimeric-to-monomeric cage conversion takes place through a disassembly and reassembly process in strongly coordinating solvents at low concentration or by the addition/removal of competing ligand. The interconversion may be driven by the distinct thermodynamic stabilities of 1 and 2 in different solvents. Additionally, Cl– anions template the interpenetration of 1 because of the strong chloride binding affinity of 2 which could serve as an anion-binding catalyst for the C–Cl bond cleavage. While Pd2L4-type coordination cages tend to form interlocked dimers, isolation and characterization of both the cage and its interlocked dimer is very challenging. Herein, the authors report the synthesis and solvent-mediated interconversion of highly soluble phenoxazine-based monomeric cage and corresponding interlocked dimer.

Topics & Concepts

ChemistryDimerMonomerPhenoxazineLigand (biochemistry)SolventCrystallographySelf-assemblyCatalysisStereochemistryCombinatorial chemistryOrganic chemistryPolymerPharmacologyMedicineBiochemistryPhenothiazineReceptorSupramolecular Chemistry and ComplexesMolecular Sensors and Ion DetectionMetal-Organic Frameworks: Synthesis and Applications