期刊
ACS OMEGA
卷 6, 期 39, 页码 25447-25460出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsomega.1c03439
关键词
-
资金
- Pakistan Science Foundation [PSF/NSFC-II/Eng/KP-COMSATS-Abt(12)]
The study demonstrates that AIE-based THTPE can be used for convenient and rapid detection of nitroaromatic compounds with a detection sensitivity of 1.0 nM through a fluorescence quenching mechanism. Interaction of THTPE with different analytes was studied using Gaussian software, revealing that nitrobenzene has the strongest interaction with the sensor molecule.
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/631G(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.
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