Construction and modulation of dual responsive fluorescent aggregates combined with molecular dynamics simulation Article Swipe

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Huajie Yu , Pengliang Sui , Shujin Ge , Xiujie Chang , Qiuhong Li , Aixiang Li , Xia Sun ·

YOU? · · 2021 · Open Access · · DOI: https://doi.org/10.1002/nano.202000222

The fluorescent functional material prepared by combining 16‐alkyl (ferrocenyl‐methyl) ammonium bromide (Fc16AB) and dye molecule Congo red (CR) via ionic self‐assembly strategy exhibits double stimuli‐responsive behavior triggered by redox and pH value. Both the fabrication and switching mechanism of aggregates are proposed according to the cooperative binding of noncovalent interactions, including π‐π stacking, electrostatic interactions, charge transfer interaction, and amphiphilic hydrophobic association. The optimal geometry and energy transfer between monomers and aggregate are studied by means of quantum chemistry calculation and wavefunction analysis, which provides a deep and theoretical understanding for formation mechanism of ionic self‐assemblies. Moreover, the fluorescent switching behavior of assemblies upon pH was studied in detail, which opens the new way for the construction of organic light‐emitt i ng diode (OLED).

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Stacking Amphiphile Fluorescence Non-covalent interactions Monomer Ionic bonding Molecule Chemistry Electron transfer Supramolecular chemistry Hydrophobic effect Chemical physics Photochemistry Combinatorial chemistry Materials science Copolymer Polymer Ion Organic chemistry Hydrogen bond Physics Quantum mechanics

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Type: article
Language: en
Landing Page: https://doi.org/10.1002/nano.202000222
PDF: https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/nano.202000222
OA Status: gold
Cited By: 3
References: 37
Related Works: 10
OpenAlex ID: https://openalex.org/W3161634662

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DOI: https://doi.org/10.1002/nano.202000222

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Title: Construction and modulation of dual responsive fluorescent aggregates combined with molecular dynamics simulation

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Language: en

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Publication year: 2021

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Publication date: 2021-05-07

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Authors: Huajie Yu, Pengliang Sui, Shujin Ge, Xiujie Chang, Qiuhong Li, Aixiang Li, Xia Sun

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Landing page: https://doi.org/10.1002/nano.202000222

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Concepts: Stacking, Amphiphile, Fluorescence, Non-covalent interactions, Monomer, Ionic bonding, Molecule, Chemistry, Electron transfer, Supramolecular chemistry, Hydrophobic effect, Chemical physics, Photochemistry, Combinatorial chemistry, Materials science, Copolymer, Polymer, Ion, Organic chemistry, Hydrogen bond, Physics, Quantum mechanics

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Cited by: 3

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