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.     

等离子TLC-DSERS应用于多环芳烃的检测研究

多环芳烃(PAHs)作为一种持久性有机污染物,不仅污染生态环境还危害人体健康。因此,PAHs的鉴别至关重要。本研究建立一种高灵敏度的等离子体薄层色谱(pTLC)与动态表面增强拉曼光谱(DSERS)联用的方法,现场检测食用油中嵌二萘。混合样品中的PAHs在pTLC芯片上被有效分离,并在紫外光下可视化,然后在便携式拉曼光谱仪上进行DSERS检测。此外,固定相的等离子体特性可以增强PAHs的荧光并且较小的金纳米粒子可以提供更高的分离效率和更低的理论塔板高度。pTLC-DSERS方法的灵敏度低至0.1 ppb,比TLC-SERS方法高近4个数量级。结果表明,pTLC-DSERS方法具有对混合物中的PAHs快速分离和灵敏检测的潜力。     

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。