Revealing the switching mechanisms of an off-on-off fluorescent logic gate system
文献类型：期刊论文
| 作者 | Chi, Weijie1; Chen, Jie3; Qiao, Qinglong3; Gao, Ying1,2; Xu, Zhaochao3; Liu, Xiaogang1 |
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2019-08-14 |
| 卷号 | 21期号:30页码:16798-16803 |
| ISSN号 | 1463-9076 |
| DOI | 10.1039/c9cp01401b |
| 通讯作者 | Liu, Xiaogang(xiaogang_liu@sutd.edu.sg) |
| 英文摘要 | A deep understanding of fluorescence on-off and off-on switching mechanisms is the foundation for rationally designing highly effective molecular logic gate components and systems. These mechanisms, however, are often subtle to perceive and interpret, as multiple effects may contribute to the change of fluorescence signals. Herein, we systematically investigated the 'off-on-off' switching mechanisms of a fluorescent logic gate molecule M1 using density functional theory (DFT) and time-dependent DFT (TD-DFT). Based on photoexcitation and photoemission calculations, and potential energy surface scans in the excited state, we have shown that as the pH of the medium continuously decreases and the sequential protonation of the molecule takes place, the prevention of twisted intramolecular charge transfer (TICT) followed by the activation of photo-induced electron transfer (PET) was responsible for the off-on-off switching mechanism of M1. Our results provided new insights for understanding the 'off-on-off' phenomenon in M1. The good agreement between theoretical calculations and experimental observations also suggests that computational chemistry is a powerful tool to aid the molecular design and engineering of fluorescent logic gate compounds. |
| WOS关键词 | ELECTRON-TRANSFER PET ; PH ; SENSORS ; DESIGN ; FRET ; ICT ; FORMAT ; STATES |
| 资助项目 | Singapore University of Technology and Design (SUTD) ; SUTD-MIT International Design Centre[T1SRCI17126] ; SUTD-MIT International Design Centre[IDD21700101] ; SUTD-MIT International Design Centre[IDG31800104] ; National Natural Science Foundation of China[21878286] ; National Natural Science Foundation of China[81772812] ; DICP[DMTO201603] ; DICP[TMSR201601] |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| 出版者 | ROYAL SOC CHEMISTRY |
| WOS记录号 | WOS:000477987200038 |
| 资助机构 | Singapore University of Technology and Design (SUTD) ; Singapore University of Technology and Design (SUTD) ; SUTD-MIT International Design Centre ; SUTD-MIT International Design Centre ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; DICP ; DICP ; Singapore University of Technology and Design (SUTD) ; Singapore University of Technology and Design (SUTD) ; SUTD-MIT International Design Centre ; SUTD-MIT International Design Centre ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; DICP ; DICP ; Singapore University of Technology and Design (SUTD) ; Singapore University of Technology and Design (SUTD) ; SUTD-MIT International Design Centre ; SUTD-MIT International Design Centre ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; DICP ; DICP ; Singapore University of Technology and Design (SUTD) ; Singapore University of Technology and Design (SUTD) ; SUTD-MIT International Design Centre ; SUTD-MIT International Design Centre ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; DICP ; DICP |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/173824]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 通讯作者 | Liu, Xiaogang |
| 作者单位 | 1.Singapore Univ Technol & Design, Sci & Math Cluster, 8 Somapah Rd, Singapore 487372, Singapore 2.Jilin Engn Normal Univ, Changchun 130052, Jilin, Peoples R China 3.Chinese Acad Sci, CAS Key Lab Separat Sci Analyt Chem, Dalian Inst Chem Phys, 457 Zhongshan Rd, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chi, Weijie,Chen, Jie,Qiao, Qinglong,et al. Revealing the switching mechanisms of an off-on-off fluorescent logic gate system[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2019,21(30):16798-16803. |
| APA | Chi, Weijie,Chen, Jie,Qiao, Qinglong,Gao, Ying,Xu, Zhaochao,&Liu, Xiaogang.(2019).Revealing the switching mechanisms of an off-on-off fluorescent logic gate system.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,21(30),16798-16803. |
| MLA | Chi, Weijie,et al."Revealing the switching mechanisms of an off-on-off fluorescent logic gate system".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.30(2019):16798-16803. |
入库方式： OAI收割
来源：大连化学物理研究所
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