中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
学科主题: 物理化学
题名: Sensing mechanism for a fluoride chemosensor: invalidity of excited-state proton transfer mechanism
作者: Chen, Jun-Sheng1, 2;  Zhou, Pan-Wang1;  Yang, Song-Qiu1;  Fu, Ai-Ping3;  Chu, Tian-Shu1, 3
通讯作者: 楚天舒
刊名: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
发表日期: 2013
DOI: 10.1039/c3cp51482j
卷: 15, 期:38, 页:16183-16189
收录类别: SCI
合作性质: 
文章类型: Article
部门归属: 11
项目归属: 1101
产权排名: 待补充
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
资助者: 1,1
研究领域[WOS]: Chemistry ;  Physics
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.
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
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000324412300061
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/119114
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item: Download All
File Name/ File Size Content Type Version Access License
20134FlKG2LyGi.PDF(2420KB)----开放获取View Download

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

Recommended Citation:
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.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Chen, Jun-Sheng]'s Articles
 [Zhou, Pan-Wang]'s Articles
 [Yang, Song-Qiu]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Chen, Jun-Sheng]‘s Articles
 [Zhou, Pan-Wang]‘s Articles
 [Yang, Song-Qiu]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
文件名: 20134FlKG2LyGi.PDF
格式: Adobe PDF
此文件暂不支持浏览
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace