Two Orthogonal Halogen-Bonding Interactions Directed 2D Crystalline Supramolecular J-Dimer Lamellae

Area of Science:

• Supramolecular Chemistry
• Materials Science
• Organic Chemistry

Background:

• Dye assembly properties depend on molecular packing and supramolecular architecture.
• Halogen bonding (XB) is an underutilized interaction for controlling self-assembly.

Purpose of the Study:

• To engineer a chlorosome-mimetic 2D crystalline J-dimer lamellar structure using halogenated dyes.
• To demonstrate the utility of orthogonal halogen-bonding interactions in creating controlled dye aggregates.

Main Methods:

• Utilized two distinct orthogonal halogen-bonding (XB) interactions for dye assembly.
• Employed halogenated dyes in aqueous media to form J-dimer units.
• Characterized the resulting 2D lamellar structure and molecular packing.

Main Results:

• Successfully engineered a novel 2D crystalline J-dimer lamellar structure.
• The J-dimer motif was stabilized by π-stacking and halogen-π interactions.
• Quadruple halogen-halogen interactions linked J-dimer units in a staggered manner, forming the 2D assembly.

Conclusions:

• Halogen bonding is a powerful tool for precise control over dye aggregate supramolecular architecture.
• This work advances the engineering of dye assemblies with tailored molecular packing.
• The developed chlorosome-mimetic structure provides a new platform for functional dye materials.