Detection and Theoretical Study of Fukui Function of Nitroaromatics by Carbazole-Based Iridium（Ⅲ）Phosphorescent Probe北大核心CSCD

A room temperature phosphorescent Ir（Ⅲ）complex Ir（ppyCz）3 is synthesized by a two-step synthesis method with a carbazole modified organic ligand. The high-efficiency luminescent detection strategy of six familiar nitroaromatics including 1，3-dinitrobenzene，etc. is developed using Ir（ppyCz）3 as the luminescent probe. The highest detection efficiency of 1，3-dinitrobenzene by Ir（ppyCz）3 is demonstrated with the quenching content KSV of（26. 38±1. 05）L/mmol，and minimum detection limit of 2. 50×10−6 mmol/L. Density functional theory calculations and spectral overlap experiments show that the detection mechanism of Ir（ppyCz）3 for the six nitroaromatics is assigned to electron transfer. The sequence of the orbital weighted Fukui function for the six nitroaromatics dovetails with the corresponding detection efficiency sequence of nitroaromatics by Ir（ppyCz）3. © 2022, Science Press (China). All rights reserved.