{"title":"双极性状态对受体基团修饰的芘基推挽系统 J 型聚集的影响","authors":"","doi":"10.1016/j.jphotochem.2024.115971","DOIUrl":null,"url":null,"abstract":"<div><p>The present work demonstrates the ground and excited state aggregation behavior of two pyrene-based push–pull systems (<strong>Pyr-MC</strong> and <strong>Pyr-PyA)</strong> both in solid and solution state. The UV–Vis spectra of these molecules show a unique broaden spectral pattern at lower energy region (400–600 nm) in both H<sub>2</sub>O and solid state. Further, along with the local (intense) emission band, a new (less intense) band is appeared at higher wavelength region (∼550 nm) in water, which is due to the formation of aggregates. Interestingly, it is the lowest energy emission out of all previously reported emission by pyrene derivatives. The experimental results suggest the formation of <em>J-</em>type aggregation in solid and solution. The average lifetime of these molecules is also measured in different solvents. Intriguingly, the ground/excited state <em>J</em>-type aggregation in solid and solution are similar in nature in spite of different mode of intermolecular interactions, and are supported by experimental results. The dipolar state plays an important role on the <em>J</em>-type aggregation process. The QTAIM (quantum theory of atom in molecule) theoretical framework is applied to analyze and understand the properties of molecules in terms of the distribution of electrons and the topological features of the electron density within a molecule. Importantly, bond paths provide information about the nature of chemical bonds, including their strength and directionality.</p></div>","PeriodicalId":16782,"journal":{"name":"Journal of Photochemistry and Photobiology A-chemistry","volume":null,"pages":null},"PeriodicalIF":4.1000,"publicationDate":"2024-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S101060302400515X/pdfft?md5=ed55a7d08b2afb77343a4b15cab0a85a&pid=1-s2.0-S101060302400515X-main.pdf","citationCount":"0","resultStr":"{\"title\":\"Effect of dipolar state on J-type aggregation of acceptor group modified pyrene-based push-pull systems\",\"authors\":\"\",\"doi\":\"10.1016/j.jphotochem.2024.115971\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The present work demonstrates the ground and excited state aggregation behavior of two pyrene-based push–pull systems (<strong>Pyr-MC</strong> and <strong>Pyr-PyA)</strong> both in solid and solution state. The UV–Vis spectra of these molecules show a unique broaden spectral pattern at lower energy region (400–600 nm) in both H<sub>2</sub>O and solid state. Further, along with the local (intense) emission band, a new (less intense) band is appeared at higher wavelength region (∼550 nm) in water, which is due to the formation of aggregates. Interestingly, it is the lowest energy emission out of all previously reported emission by pyrene derivatives. The experimental results suggest the formation of <em>J-</em>type aggregation in solid and solution. The average lifetime of these molecules is also measured in different solvents. Intriguingly, the ground/excited state <em>J</em>-type aggregation in solid and solution are similar in nature in spite of different mode of intermolecular interactions, and are supported by experimental results. The dipolar state plays an important role on the <em>J</em>-type aggregation process. The QTAIM (quantum theory of atom in molecule) theoretical framework is applied to analyze and understand the properties of molecules in terms of the distribution of electrons and the topological features of the electron density within a molecule. Importantly, bond paths provide information about the nature of chemical bonds, including their strength and directionality.</p></div>\",\"PeriodicalId\":16782,\"journal\":{\"name\":\"Journal of Photochemistry and Photobiology A-chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":4.1000,\"publicationDate\":\"2024-08-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S101060302400515X/pdfft?md5=ed55a7d08b2afb77343a4b15cab0a85a&pid=1-s2.0-S101060302400515X-main.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Photochemistry and Photobiology A-chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S101060302400515X\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Photochemistry and Photobiology A-chemistry","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S101060302400515X","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Effect of dipolar state on J-type aggregation of acceptor group modified pyrene-based push-pull systems
The present work demonstrates the ground and excited state aggregation behavior of two pyrene-based push–pull systems (Pyr-MC and Pyr-PyA) both in solid and solution state. The UV–Vis spectra of these molecules show a unique broaden spectral pattern at lower energy region (400–600 nm) in both H2O and solid state. Further, along with the local (intense) emission band, a new (less intense) band is appeared at higher wavelength region (∼550 nm) in water, which is due to the formation of aggregates. Interestingly, it is the lowest energy emission out of all previously reported emission by pyrene derivatives. The experimental results suggest the formation of J-type aggregation in solid and solution. The average lifetime of these molecules is also measured in different solvents. Intriguingly, the ground/excited state J-type aggregation in solid and solution are similar in nature in spite of different mode of intermolecular interactions, and are supported by experimental results. The dipolar state plays an important role on the J-type aggregation process. The QTAIM (quantum theory of atom in molecule) theoretical framework is applied to analyze and understand the properties of molecules in terms of the distribution of electrons and the topological features of the electron density within a molecule. Importantly, bond paths provide information about the nature of chemical bonds, including their strength and directionality.
期刊介绍:
JPPA publishes the results of fundamental studies on all aspects of chemical phenomena induced by interactions between light and molecules/matter of all kinds.
All systems capable of being described at the molecular or integrated multimolecular level are appropriate for the journal. This includes all molecular chemical species as well as biomolecular, supramolecular, polymer and other macromolecular systems, as well as solid state photochemistry. In addition, the journal publishes studies of semiconductor and other photoactive organic and inorganic materials, photocatalysis (organic, inorganic, supramolecular and superconductor).
The scope includes condensed and gas phase photochemistry, as well as synchrotron radiation chemistry. A broad range of processes and techniques in photochemistry are covered such as light induced energy, electron and proton transfer; nonlinear photochemical behavior; mechanistic investigation of photochemical reactions and identification of the products of photochemical reactions; quantum yield determinations and measurements of rate constants for primary and secondary photochemical processes; steady-state and time-resolved emission, ultrafast spectroscopic methods, single molecule spectroscopy, time resolved X-ray diffraction, luminescence microscopy, and scattering spectroscopy applied to photochemistry. Papers in emerging and applied areas such as luminescent sensors, electroluminescence, solar energy conversion, atmospheric photochemistry, environmental remediation, and related photocatalytic chemistry are also welcome.