Sensing mechanism for a fluoride chemosensor: invalidity of excited-state proton transfer mechanism
文献类型：期刊论文
| 作者 | Chen, Jun-Sheng1,2; Zhou, Pan-Wang1; Yang, Song-Qiu1; Fu, Ai-Ping3; Chu, Tian-Shu1,3 |
| 刊名 | physical chemistry chemical physics
 |
| 出版日期 | 2013 |
| 卷号 | 15期号:38页码:16183-16189 |
| ISSN号 | 1463-9076 |
| 产权排序 | 待补充 |
| 通讯作者 | 楚天舒 |
| 合作状况 | 英 |
| 英文摘要 | our density functional theory (dft)/time-dependent dft calculations for the fluoride anion sensor, 5,7-dibromo-8-tert-butyldimethylsilyloxy-2-methylquinoline (dbm), suggested a different sensing mechanism from the experimentally proposed one (chem. commun., 2011, 47, 7098). instead of the formation of fluoride-hydrogen-bond complex (dbmohf) and excited-state proton transfer mechanism, the theoretical results predicted a sensing mechanism based on desilylation reaction and intramolecular charge transfer (ict). the fluoride anion reacted with dbm and formed an anion (dbmo), with the ict causing a red shift in the absorbance and emission spectra of the latter. the calculated vertical excitation energies in the ground and first excited states of both dbm and dbmo, as well as the calculated h-1 nmr spectra, significantly reproduced the experimental measurements, providing additional proofs for our proposed sensing mechanism for dbm. |
| WOS标题词 | science & technology ; physical sciences |
| 学科主题 | 物理化学 |
| 类目[WOS] | chemistry, physical ; physics, atomic, molecular & chemical |
| 研究领域[WOS] | chemistry ; physics |
| 关键词[WOS] | photoinduced electron-transfer ; density-functional theory ; dual output modes ; aqueous-media ; td-dft ; fluorescent chemosensor ; identity approximation ; relay recognition ; derivatives ; sensor |
| 收录类别 | SCI |
| 资助信息 | 1，1 |
| 原文出处 | 16189 |
| 语种 | 英语 |
| WOS记录号 | WOS:000324412300061 |
| 公开日期 | 2014-09-11 |
| 源URL | [http://159.226.238.44/handle/321008/119114]  |
| 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, Growing Base State Key Lab, Lab New Fiber Mat & Modern Text, Inst Computat Sci & Engn, Qingdao 266071, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chen, Jun-Sheng,Zhou, Pan-Wang,Yang, Song-Qiu,et al. Sensing mechanism for a fluoride chemosensor: invalidity of excited-state proton transfer mechanism[J]. physical chemistry chemical physics,2013,15(38):16183-16189. |
| APA | Chen, Jun-Sheng,Zhou, Pan-Wang,Yang, Song-Qiu,Fu, Ai-Ping,&Chu, Tian-Shu.(2013).Sensing mechanism for a fluoride chemosensor: invalidity of excited-state proton transfer mechanism.physical chemistry chemical physics,15(38),16183-16189. |
| MLA | Chen, Jun-Sheng,et al."Sensing mechanism for a fluoride chemosensor: invalidity of excited-state proton transfer mechanism".physical chemistry chemical physics 15.38(2013):16183-16189. |
入库方式： OAI收割
来源：大连化学物理研究所
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