Chemometrics-assisted mechanism study of the room-temperature phosphorescence on nanoscopic boronate assemblies.

Boronate assemblies, derived from benzene-1,4-diboronic acid, showed room-temperature phosphorescence (RTP) in both the solid-state and dispersions, being quite sensitive to the preparation conditions. Our chemometrics-assisted quantitative structure-property relationship (QSPR) analysis between the nanostructure and RTP behavior of boronate assemblies led us not only to understand their RTP mechanism but also to predict the RTP properties of unknown assemblies from the PXRD patterns.