Bright insights: Examining fluorescence behavior using 5,7‐dibromo‐8‐hydroxyquinoline in organic–inorganic hybrid materials

Abstract

Expanding on prior research with 8‐hydroxyquinoline (8hq) derivatives, this study investigates 5,7‐dibromo‐8‐hydroxyquinoline (8hqBr2) as a ligand in organic–inorganic hybrid materials (OIHMs). A series of 19 compounds and two of its salts were synthesized, employing d‐ and p‐block metal halides to explore the effect of solid‐state supramolecular structures on emission properties. Through the use of density functional theory (DFT), this work emphasizes the critical role of the bromine position within the ligand, contrasting with its effect when located exclusively in halogenometallate anions. The findings reveal that emission is profoundly influenced by π–π stacking, anion‐π interactions, and the configuration of metal cations and bromine substituents. This study not only provides insights into the specific impact of bromine positioning in 8hqBr2 on fluorescence but also contributes to the development of advanced emitters for optoelectronics and sensing, enhancing the understanding of fluorescence modulation in 8‐hydroxyquinoline‐based OIHMs.