Rigid clusteroluminogens of p(C3O2)n polyesters for detection of deuterated water

IF 4 2区 化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Structure Pub Date : 2025-02-20 DOI:10.1016/j.molstruc.2025.141809
Huiling Yuan , Qihang Sun , Jinming Chang , Hejun Gao , Juan Zhang , Fang Liao , Hongquan Fu , Yunwen Liao
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Abstract

The rapid expansion of nuclear energy confronts ecological challenges, especially the analysis of heavy water (D2O) in radioactive wastewater. The unique red carbon (C3O2) molecule spontaneously polymerizes into highly conjugated fluorescent structures, p(C3O2)n, enabling us to deeply investigate their recognition mechanism for D2O, as aggregation-induced emission luminogens. Density functional theory calculations and experiments reveal the π–π stacking crystal structure of p(C3O2)n nanosheets in an aggregated state, enhancing their fluorescence properties in solution. This allows for highly sensitive, fast (< 0.2 s), and stable detection of D2O, with a minimum detection limit of 2.91×10−5%, unaffected by external factors. The fluorescence quenching is attributed to hydrogen bond formation between -C=O groups and D2O's D atoms (static quenching) and intramolecular electron transfer (dynamic quenching). Thus, p(C3O2)n polyesters serve as an effective luminescent probe for D2O sensing, offering a novel approach for designing conjugated fluorescent polyesters.

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Journal of Molecular Structure
Journal of Molecular Structure 化学-物理化学
CiteScore
7.10
自引率
15.80%
发文量
2384
审稿时长
45 days
期刊介绍: The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.
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