Multiple aggregates from multiple polymorphs: structural and mechanistic insight into organic dye aggregates

Abstract

This case study provides evidence for the appearance of multiple aggregation forms of a single organic dye, arising from its packing polymorphs in the solid state. Each aggregate can be spectroscopically matched to one polymorph, acquiring nanoscopic structural information even in the absence of conventional H- or J-type aggregation spectral features. The conversion from one polymorphic aggregate to another supports the action of Ostwald's rule of stages in organic aggregates suspended in solution. Mechanistically, dye molecules from one aggregate dissociate then renucleate the more stable aggregate form, the first demonstration for an aggregation-induced emission-active organic dye.