Formation of a supramolecular chromophore: a spectroscopic and theoretical studyElectronic supplementary information (ESI) available: Experimental and computational details of all optimized structures. See DOI: 10.1039/c1sm06789c

• Main Authors: Bernet, Andreas, Albuquerque, Rodrigo Q, Behr, Marina, Hoffmann, Sebastian T, Schmidt, Hans-Werner
• Format: Article
• Language: English
• ISSN: 1744-683X; 1744-6848
• DOI: 10.1039/c1sm06789c

Spectroscopic and theoretical investigations of the self-assembly of a particular 1,3,5-benzene trisamide-based low molecular weight hydrogelator are described. This trisamide is pH-sensitive, and surprisingly forms a photoluminescent supramolecular hydrogel. Controlled gel formation in combination with the luminescence properties allows studying the self-assembly process in detail. The experimental results are confirmed by Density Functional Theory (DFT) calculations, revealing that the photoluminescence originates from the formation of a supramolecular chromophore. Spectroscopic and theoretical investigations of the self-assembly of a pH-sensitive 1,3,5-benzene tricarboxamide are described. The controlled formation of a photoluminescent supramolecular hydrogel allows studying the aggregation process. The experimental results are confirmed by Density Functional Theory calculations, revealing that the photoluminescence originates from the formation of a supramolecular chromophore.