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A General Descriptor ΔE Enables the Quantitative Development of Luminescent Materials based on Photoinduced Electron Transfer
Journal of the American Chemical Society ( IF 15.0 ) Pub Date : 2020-03-17 , DOI: 10.1021/jacs.0c01473
Weijie Chi 1 , Jie Chen 2 , Wenjuan Liu 2 , Chao Wang 1, 2 , Qingkai Qi 2 , Qinglong Qiao 2 , Tee Meng Tan 1 , Kangming Xiong 2 , Xiao Liu 3 , Keegan Kang 1 , Young-Tae Chang 3, 4 , Zhaochao Xu 2 , Xiaogang Liu 1
Affiliation  

Photo-induced electron transfer (PET) is one of the most important mechanism for developing fluorescent probes and biosensors. Quantitative prediction of the quantum yields of these probes and sensors is crucial to accelerate the rational development of novel PET-based functional materials. Herein, we developed a general descriptor (ΔE) for predicting the quantum yield of PET probes, with a threshold value of ~0.6 eV. When ΔE < ~0.6 eV, the quantum yield is low (mostly <2%) due to the substantial activation of PET in polar environments; when ΔE > ~0.6 eV, the quantum yield is high because of the inhibition of PET. This simple yet effective descriptor is applicable to a wide range of fluorophores, such as BODIPY, fluorescein, rhodamine, and Si-Rhodamine. This ΔE descriptor not only enables us to establish new applications for existing PET probes but also quantitatively design novel PET-based fluorophores for wash-free bioimaging and AIEgen development.

中文翻译:

通用描述符 ΔE 使基于光致电子转移的发光材料的定量开发成为可能

光诱导电子转移 (PET) 是开发荧光探针和生物传感器的最重要机制之一。对这些探针和传感器的量子产率进行定量预测对于加速新型基于 PET 的功能材料的合理开发至关重要。在此,我们开发了一个通用描述符 (ΔE) 来预测 PET 探针的量子产率,阈值为 ~0.6 eV。当 ΔE < ~0.6 eV 时,由于 PET 在极性环境中的大量活化,量子产率较低(大多 <2%);当 ΔE > ~0.6 eV 时,由于 PET 的抑制,量子产率很高。这种简单而有效的描述符适用于广泛的荧光团,例如 BODIPY、荧光素、罗丹明和 Si-罗丹明。
更新日期:2020-03-17
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