Photoluminescence with an unusual open-loop and rigid delocalized conjugated structure in quantum dots

It is well known that almost all photoluminescent molecules are aromatic or heterocyclic ring compounds for bioimaging analysis. A question remains as to whether a breakthrough can be achieved regarding a novel photoluminescent molecule without a ring structure, and in a what manner. In this study, we explored the photoelectric conversion and structure of photoluminescent compounds, and constructed an intra-molecular coupling positive-negative-junction (PNJ) with an open-loop and rigid Π₅⁶ delocalized conjugated structure of the coupling p-π conjugate system. This was performed to enable strong absorption of the R/tail-end band for the high probability of an n → π*/n → σ* electron transition for photoluminescence production. Subsequently, the Π₅⁶ structure was formed in a short-chain aliphatic molecule as a hydrolytic product of citric acid and urea, and computational methodology was employed to estimate the feasibility of the molecule photoluminescence. Finally, a quantum dot material was fabricated from the aliphatic molecule, the optical properties of the quantum dots were investigated, and the biocompatibility and bioimaging ability of quantum dots were assessed. This work presents not only a theoretical exploration but also practical application of a new strategy to obtain molecules, compounds, and materials with bioimaging.