Intramolecular charge transfer and sensing mechanism for a colorimetric fluoride sensor based on 1,8-naphthalimide derivatives
文献类型：期刊论文
| 作者 | Chen, Jun-Sheng1,2; Liu, Run-Ze1,2; Yang, Yang1; Chu, Tian-Shu1,3 |
| 刊名 | theoretical chemistry accounts
 |
| 出版日期 | 2013-11-17 |
| 卷号 | 133期号:1页码:1411 |
| 关键词 | Colorimetric sensor Sensing mechanism Density functional calculations Desilylation reaction Intramolecular charge transfer (ICT) Naphthalimide |
| 产权排序 | 待补充 |
| 通讯作者 | 楚天舒 |
| 合作状况 | 英 |
| 英文摘要 | the sensing mechanism of a fluoride colorimetric chemosensor 4-(tert-butyldimethylsilyloxy)-n-butyl-naphthalimide has been studied with density functional theory and time-dependent density functional theory methods. the theoretical results suggest that the low barrier of the desilylation reaction is responsible for the rapid response speed to the fluoride anion of the chemosensor. the calculated vertical excitation energies in the ground state of the chemosensor and its desilylation product agree well with the experimental uv-vis absorbance spectra. it is also found that the intramolecular charge transfer process of the first excited state of the desilylation product induces the redshift of the absorbance and fluorescence spectra of the desilylation product compared with that of the chemosensor. further, the previously experimentally incorrect assignment of the h-1 nmr spectrum of the desilylation product has been rectified in the present theoretical study. |
| WOS标题词 | science & technology ; physical sciences |
| 学科主题 | 物理化学 |
| 类目[WOS] | chemistry, physical |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | proton-transfer ; fluorescent chemosensor ; td-dft ; probe ; ions |
| 收录类别 | SCI |
| 资助信息 | 1，1 |
| 原文出处 | 1411 |
| 语种 | 英语 |
| WOS记录号 | WOS:000327508600001 |
| 公开日期 | 2014-09-11 |
| 源URL | [http://159.226.238.44/handle/321008/119281]  |
| 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 |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Qingdao Univ, Inst Computat Sci & Engn, Growing Base State Key Lab, Lab New Fiber & Modern Text, Qingdao 266071, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chen, Jun-Sheng,Liu, Run-Ze,Yang, Yang,et al. Intramolecular charge transfer and sensing mechanism for a colorimetric fluoride sensor based on 1,8-naphthalimide derivatives[J]. theoretical chemistry accounts,2013,133(1):1411. |
| APA | Chen, Jun-Sheng,Liu, Run-Ze,Yang, Yang,&Chu, Tian-Shu.(2013).Intramolecular charge transfer and sensing mechanism for a colorimetric fluoride sensor based on 1,8-naphthalimide derivatives.theoretical chemistry accounts,133(1),1411. |
| MLA | Chen, Jun-Sheng,et al."Intramolecular charge transfer and sensing mechanism for a colorimetric fluoride sensor based on 1,8-naphthalimide derivatives".theoretical chemistry accounts 133.1(2013):1411. |
入库方式： OAI收割
来源：大连化学物理研究所
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