JV agg-Source Data.xlsx

The shortwave infrared (SWIR) region is an ideal spectral window for next-generation bioimaging to harness improved penetration and reduced phototoxicity. SWIR spectral activity may also be accessed via supramolecular dye aggregation. Unfortunately, development of dye aggregation remains challenging. We propose a crystal-aided aggregate synthesis (CAASH) approach to introduce a layer of rationality for the development of J-aggregate and the successful development of a unique water-soluble SWIR JV-aggregate with a bisbenzannulated silicon rhodamine scaffold (ESi5). The resulting SWIR-aggregates exhibit excellent stabilities toward organic solvents, pH, sonication, photobleaching, thiols, and endogenous oxidative species. Notably, the aggregates have a high structure-dependent melting temperature of ca. 330-335 K. In fact, the heating/annealing process can be exploited to reduce aggregation disorder. The aggregates are biocompatible and have tremendous potential in in vivo fluorescence and photoacoustic imaging and more. This work establishes the prototypic use of xanthenoid dyes to assemble SWIR aggregate with bioimaging implications.