Size‐dependent Stability and Luminescence Property in Organic Aggregates
ABSTRACT Unveiling the dependence of stability and luminescence properties on the size of organic aggregates is crucial for biomedical and optoelectronic applications. Taking the helical hexaphenylsilole (HPS) and planar 3‐(2‐cyano‐2‐phenylethenyl‐Z)‐NH‐indole (CPEI) aggregates of different sizes as...
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| Format: | Article |
| Language: | English |
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Wiley
2025-06-01
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| Series: | Aggregate |
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| Online Access: | https://doi.org/10.1002/agt2.70029 |
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| author | Junfang Yang Jikai Lv Yuan Jiao Xiaoyan Zheng Qian Peng |
| author_facet | Junfang Yang Jikai Lv Yuan Jiao Xiaoyan Zheng Qian Peng |
| author_sort | Junfang Yang |
| collection | DOAJ |
| description | ABSTRACT Unveiling the dependence of stability and luminescence properties on the size of organic aggregates is crucial for biomedical and optoelectronic applications. Taking the helical hexaphenylsilole (HPS) and planar 3‐(2‐cyano‐2‐phenylethenyl‐Z)‐NH‐indole (CPEI) aggregates of different sizes as examples, their stability and luminescent properties are investigated using multiscale modeling and thermal vibration correlation function approach. The size of stable aggregates formed depends on the molecular shape, with the critical aggregate sizes of 2.62 nm (2 molecules) and 2.87 nm (10 molecules) for helical HPS and planar CPEI, respectively. Their critical sizes for luminescence are 2.99 nm (6 molecules) and 2.87 nm (10 molecules), respectively. For HPS aggregates, as the size increases the luminescence is blue‐shifted and enhanced owing to denser molecular packing until the size is large enough (4.66 nm, 20 molecules) the luminescence tends to remain unchanged; and thermal annealing makes these changes more pronounced. In contrast, the luminescent properties of CPEI aggregates are insensitive to aggregate size and thermal annealing treatment. These findings provide dynamic insights into the AIE mechanism and invaluable guidance for optimizing the size of AIE‐based nanoparticles in practical applications. |
| format | Article |
| id | doaj-art-62cc1a3b4e2441d69078c39e690e96e6 |
| institution | OA Journals |
| issn | 2692-4560 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | Wiley |
| record_format | Article |
| series | Aggregate |
| spelling | doaj-art-62cc1a3b4e2441d69078c39e690e96e62025-08-20T02:37:36ZengWileyAggregate2692-45602025-06-0166n/an/a10.1002/agt2.70029Size‐dependent Stability and Luminescence Property in Organic AggregatesJunfang Yang0Jikai Lv1Yuan Jiao2Xiaoyan Zheng3Qian Peng4School of Chemical SciencesUniversity of Chinese Academy of Sciences Beijing ChinaSchool of Chemical SciencesUniversity of Chinese Academy of Sciences Beijing ChinaSchool of Chemical SciencesUniversity of Chinese Academy of Sciences Beijing ChinaKey Laboratory of Cluster Science of Ministry of Education Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials School of Chemistry and Chemical Engineering Beijing Institute of Technology Beijing ChinaSchool of Chemical SciencesUniversity of Chinese Academy of Sciences Beijing ChinaABSTRACT Unveiling the dependence of stability and luminescence properties on the size of organic aggregates is crucial for biomedical and optoelectronic applications. Taking the helical hexaphenylsilole (HPS) and planar 3‐(2‐cyano‐2‐phenylethenyl‐Z)‐NH‐indole (CPEI) aggregates of different sizes as examples, their stability and luminescent properties are investigated using multiscale modeling and thermal vibration correlation function approach. The size of stable aggregates formed depends on the molecular shape, with the critical aggregate sizes of 2.62 nm (2 molecules) and 2.87 nm (10 molecules) for helical HPS and planar CPEI, respectively. Their critical sizes for luminescence are 2.99 nm (6 molecules) and 2.87 nm (10 molecules), respectively. For HPS aggregates, as the size increases the luminescence is blue‐shifted and enhanced owing to denser molecular packing until the size is large enough (4.66 nm, 20 molecules) the luminescence tends to remain unchanged; and thermal annealing makes these changes more pronounced. In contrast, the luminescent properties of CPEI aggregates are insensitive to aggregate size and thermal annealing treatment. These findings provide dynamic insights into the AIE mechanism and invaluable guidance for optimizing the size of AIE‐based nanoparticles in practical applications.https://doi.org/10.1002/agt2.70029critical sizeluminescence quantum efficiencymultiscale modelingorganic aggregatethermal vibration correlation function |
| spellingShingle | Junfang Yang Jikai Lv Yuan Jiao Xiaoyan Zheng Qian Peng Size‐dependent Stability and Luminescence Property in Organic Aggregates Aggregate critical size luminescence quantum efficiency multiscale modeling organic aggregate thermal vibration correlation function |
| title | Size‐dependent Stability and Luminescence Property in Organic Aggregates |
| title_full | Size‐dependent Stability and Luminescence Property in Organic Aggregates |
| title_fullStr | Size‐dependent Stability and Luminescence Property in Organic Aggregates |
| title_full_unstemmed | Size‐dependent Stability and Luminescence Property in Organic Aggregates |
| title_short | Size‐dependent Stability and Luminescence Property in Organic Aggregates |
| title_sort | size dependent stability and luminescence property in organic aggregates |
| topic | critical size luminescence quantum efficiency multiscale modeling organic aggregate thermal vibration correlation function |
| url | https://doi.org/10.1002/agt2.70029 |
| work_keys_str_mv | AT junfangyang sizedependentstabilityandluminescencepropertyinorganicaggregates AT jikailv sizedependentstabilityandluminescencepropertyinorganicaggregates AT yuanjiao sizedependentstabilityandluminescencepropertyinorganicaggregates AT xiaoyanzheng sizedependentstabilityandluminescencepropertyinorganicaggregates AT qianpeng sizedependentstabilityandluminescencepropertyinorganicaggregates |