Experimental and theoretical study on the sensing mechanism of a fluorescence probe for hypochloric acid: a Se ... N nonbonding interaction modulated twisting process
文献类型：期刊论文
| 作者 | Lou, Zhangrong1,2; Yang, Songqiu1; Li, Peng1; Zhou, Panwang1; Han, Keli1 |
| 刊名 | physical chemistry chemical physics
 |
| 出版日期 | 2014 |
| 卷号 | 16期号:8页码:3749-3756 |
| 英文摘要 | in this article, the sensing mechanism of a fluorescence probe for hypochloric acid, ni-se, has been investigated using experimental and theoretical methods. based on the results of the steady-state and time-resolved emission spectra of ni-se and its oxidized form ni-seo, we suggested that there was twist internal charge transfer (tict) state with faint fluorescence in ni-se. subsequently, the ground and excited state minimum geometries of ni-se and ni-seo were optimized with dft/td-dft methods. the results demonstrated there was a twisting process in the excited state of ni-se and that this twist process was induced by the nonbonding interaction between the se and n atoms. in addition, the calculated spectra and molecular orbitals confirmed the charge transfer character of the tict state in ni-se. to further investigate the driving force behind the twist in ni-se, we synthesized ni-o, which has no se...n nonbonding interaction, as a control sample. herein, we also present the characterization, fluorescence properties and the optimized geometries of ni-o. moreover, the results showed that se...n nonbonding interaction plays a significant role in the twisting process of ni-se. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, physical ; physics, atomic, molecular & chemical |
| 研究领域[WOS] | chemistry ; physics |
| 关键词[WOS] | state proton-transfer ; td-dft ; generated oxidants ; electron-transfer ; charge-transfer ; living cells ; myeloperoxidase ; chemosensor ; atherosclerosis ; phagocytosis |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000330779700045 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/145857]  |
| 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 |
| 推荐引用方式 GB/T 7714 | Lou, Zhangrong,Yang, Songqiu,Li, Peng,et al. Experimental and theoretical study on the sensing mechanism of a fluorescence probe for hypochloric acid: a Se ... N nonbonding interaction modulated twisting process[J]. physical chemistry chemical physics,2014,16(8):3749-3756. |
| APA | Lou, Zhangrong,Yang, Songqiu,Li, Peng,Zhou, Panwang,&Han, Keli.(2014).Experimental and theoretical study on the sensing mechanism of a fluorescence probe for hypochloric acid: a Se ... N nonbonding interaction modulated twisting process.physical chemistry chemical physics,16(8),3749-3756. |
| MLA | Lou, Zhangrong,et al."Experimental and theoretical study on the sensing mechanism of a fluorescence probe for hypochloric acid: a Se ... N nonbonding interaction modulated twisting process".physical chemistry chemical physics 16.8(2014):3749-3756. |
入库方式： OAI收割
来源：大连化学物理研究所
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