Water-Soluble, Self-Assembled Molecular Cage and Two-Dimensional Framework through Flexibility Adjustment of the Precursors

The diversified self-assembly in water is a versatile and significant phenomenon with far-reaching implications in materials science, medicine, biotechnology, and various other fields. Through subtle tailoring of the amphipathic molecular structures, two completely different self-assembly behaviors in water were obtained. The precursors M1-X (X = I- or Cl-) with rigid and shorter bridges between the hydrophobic core and the hydrophilic edge form 2D framework structures, while the precursor M2-I molecule with flexible vinyl bridges gives 3D cube-like supramolecular cages. Notably, all of the single crystals of the assemblies were obtained. Single-crystal X-ray diffraction analysis provided unambiguous evidence of the 2D framework and cube-like structures.