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.     

Cu(Ⅰ)NH4Y吸附剂的制备及其乙烯/乙烷吸附分离性能

本研究采用液相离子交换法,用不同浓度的CuCl2对NH₄Y分子筛进行离子交换制得系列CuNH₄Y-x分子筛吸附剂,并通过固定床吸附穿透实验及一系列表征手段探究了Cu的价态和负载量对乙烯/乙烷吸附分离性能的影响。吸附穿透实验结果表明,Cu(Ⅰ)NH₄Y0.10的乙烯吸附量明显高于Cu(Ⅱ)NH₄Y0.10,且Cu(Ⅰ)NH₄Y系列吸附剂的乙烯吸附量随着Cu负载量的增加呈现先增加后减小的趋势。H₂-TPR和HRTEM表明,当Cu的负载量较低时,高度分散落位于Y分子筛超笼中的Cu(Ⅰ)物种是乙烯有效吸附位点。然而,当Cu的负载量较高时,部分Cu物种发生团聚,造成对乙烯吸附能力的减弱。DFT密度泛函理论计算表明相比于Cu(Ⅱ)NH₄Y吸附剂,乙烯更容易吸附在Cu(Ⅰ)NH₄Y吸附剂上。该研究结果可为乙烯分离用高效Cu离子改性分子筛吸附剂的开发提供重要理论依据与指导。