Tetraphenylethylene (TPE) can be used to construct fluorescent probes with typical aggregation-induced emission (AIE) behavior for next-generation sensing applications. McMurry coupling and Suzuki cross coupling strategies provided the desired sensor thiophene-substituted tetraphenylethylene (THTPE). The synthesized TPE analogues were characterized by NMR spectroscopy and mass spectrometry. Maximum AIE of THTPE was observed in 90% water (H₂O/THF) content due to extensive formation of aggregates. The AIE properties of THTPE have been utilized for facile detection of nitroaromatic compounds (NACs) (1.0 nM) through a fluorescence quenching mechanism. A paper strip adsorbed with the AIE-based THTPE fluorophore is developed for rapid and convenient detection of NAC-based analytes. Further, interaction of THTPE with analytes is also studied via Gaussian software at the DFT/B3LYP/6-31G(d) level of theory. Interaction energy, frontier molecular orbitals (FMOs), and non-covalent interaction (NCI) analyses are studied by using the same method. Computational results revealed that nitrobenzene (NB) has the strongest interaction while 1,3-dinitrobenzene (DNB) exhibits the least interaction with the sensor molecule. These computational results clearly demonstrate good agreement with experimental data.

中文翻译：

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用于快速检测水性介质中硝基芳族化合物的合成和基于四苯基乙烯的聚集诱导发射探针

四苯基乙烯 (TPE) 可用于构建具有典型聚集诱导发射 (AIE) 行为的荧光探针，用于下一代传感应用。McMurry 耦合和 Suzuki 交叉耦合策略提供了所需的传感器噻吩取代的四苯基乙烯 (THTPE)。合成的 TPE 类似物通过 NMR 光谱和质谱进行表征。在 90% 的水 (H ₂O/THF) 含量由于聚集体的广泛形成。THTPE 的 AIE 特性已被用于通过荧光猝灭机制轻松检测硝基芳香化合物 (NAC) (1.0 nM)。开发了一种吸附有基于 AIE 的 THTPE 荧光团的纸条，用于快速方便地检测基于 NAC 的分析物。此外，还通过高斯软件在 DFT/B3LYP/6-31G(d) 理论水平上研究了 THTPE 与分析物的相互作用。使用相同的方法研究了相互作用能、前沿分子轨道 (FMO) 和非共价相互作用 (NCI) 分析。计算结果表明，硝基苯 (NB) 具有最强的相互作用，而 1,3-二硝基苯 (DNB) 与传感器分子的相互作用最小。