An ESIPT-based ratiometric fluorescent probe for detecting H2O2 in water environment and biosystems

Li, Zhuohang; Xiao, Liyan; Sun, Xiaoqian; Luo, Chenyao; Li, Rencheng; Zhang, Wenbo; Wang, Zicheng; Xiao, Haibin

doi:10.1016/j.scitotenv.2023.161609

Cited by 18 publications

(1 citation statement)

References 41 publications

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“…Recently, Yu et al 27 introduced electron‐withdrawing group cyano (‐CN) group to increase the UV absorption peak, while the electron‐donating group amino (‐NH 2 ) should promote the occurrence of ESIPT. Li et al 28 reported a dual colorimetric fluorescent probe based on DMA3HF, identifying H 2 O 2 quickly and selectively. At present, there is no systematic theoretic study on ESIPT mechanism and spectral properties of DMA3HF fluorophore.…”

Section: Introductionmentioning

confidence: 99%

Electronegativity effect on the ESIPT process of 4′‐N,N‐dimethylamino‐3‐hydroxyflavone (DMA3HF) and its derivatives

Liu,

Han,

Wang

et al. 2023

J of Physical Organic Chem

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Abstract4′‐N,N‐dimethylamino‐3‐hydroxyflavone (DMA3HF) has antioxidant activity and excited state proton transfer (ESIPT) property. In this study, the influence of electronegativity on the ESIPT process has been studied by DFT/TD‐DFT methods. Except DMA3HF, the substitutes of S and Se have been designed. The analysis of main bond parameters, infrared vibration spectra, and reduced density gradient function shows that the reduction of atomic electronegativity could promote the ESIPT process. Dihedral angle, frontier molecular orbitals and hole‐electron analysis indicate that the twisted intramolecular charge transfer (TICT) process has been enhanced by the decreasing electronegativity. The results show that the decrease of atomic electronegativity is beneficial to TICT and ESIPT processess.

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Section: Introductionmentioning

confidence: 99%