Excited-state proton transfer of 4-hydroxyl-1, 8-naphthalimide derivatives: A combined experimental and theoretical investigation
文献类型：期刊论文
| 作者 | Qu, Zongjin; Li, Peng; Zhang, Xuexiang; Wang, Endong; Wang, Yanni; Zhou, Panwang
|
| 刊名 | JOURNAL OF LUMINESCENCE
 |
| 出版日期 | 2016-09-01 |
| 卷号 | 177页码:197-203 |
| 关键词 | Naphthalimide Excited-state Proton Transfer Photoacid Contact Ion Pair Time-dependent Density Functional Theory |
| ISSN号 | 0022-2313 |
| DOI | 10.1016/j.jlumin.2016.04.030 |
| 文献子类 | Article |
| 英文摘要 | The photophysical properties of N-butyl-4-hydroxyl-1, 8-naphthalimide (BOH) and N-(morpholinoethyl) - 4-hydroxy-1, 8-naphthalimide (MOH) in various solvents are presented and the density functional theory (DFT)/time-dependent density functional theory (TDDFT) methods at the B3LYP/TZVP theoretical level are adopted to investigate the UV-visible absorption and emission data. An efficient intermolecular excited-state proton transfer (ESPT) reaction occurs for both compounds in DMSO, methanol and water. In aqueous solution, both BOH and MOH can be used as ratiometric pH probes and perform as strong photoacids with pKa*= -2.2, -2.4, respectively. Most interestingly, in the steady-state fluorescence spectra of BOH and MOH in concentrated HCl, an unexpected blue-shifted band is observed and assumed to originate from the contact ion pair (CIP) formed by hydronium ion and the anionic form of the photoacid resulted from ESPT. Theoretical calculations are used to simulate the CIP in the case of BOH, which afford reasonable results compared with the experimental data. (c) 2016 Elsevier B.V. All rights reserved. |
| WOS关键词 | RATIOMETRIC FLUORESCENT-PROBE ; IMAGING HYDROGEN-SULFIDE ; LARGE EMISSION SHIFT ; LIVING CELLS ; 1,8-NAPHTHALIMIDE DERIVATIVES ; FAST-RESPONSE ; PEROXIDE ; CHEMODOSIMETER ; DYNAMICS ; SOLVENTS |
| WOS研究方向 | Optics |
| 语种 | 英语 |
| WOS记录号 | WOS:000377997700030 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/170558]  |
| 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 | Zhou, Panwang |
| 作者单位 | Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian, Peoples R China |
| 推荐引用方式 GB/T 7714 | Qu, Zongjin,Li, Peng,Zhang, Xuexiang,et al. Excited-state proton transfer of 4-hydroxyl-1, 8-naphthalimide derivatives: A combined experimental and theoretical investigation[J]. JOURNAL OF LUMINESCENCE,2016,177:197-203. |
| APA | Qu, Zongjin,Li, Peng,Zhang, Xuexiang,Wang, Endong,Wang, Yanni,&Zhou, Panwang.(2016).Excited-state proton transfer of 4-hydroxyl-1, 8-naphthalimide derivatives: A combined experimental and theoretical investigation.JOURNAL OF LUMINESCENCE,177,197-203. |
| MLA | Qu, Zongjin,et al."Excited-state proton transfer of 4-hydroxyl-1, 8-naphthalimide derivatives: A combined experimental and theoretical investigation".JOURNAL OF LUMINESCENCE 177(2016):197-203. |
入库方式： OAI收割
来源：大连化学物理研究所
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