A binding model study on tnp fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid
文献类型：期刊论文
| 作者 | Ma, Yinhua1,4; Zhao, Jinfeng1; Liu, Jianyong1; Yang, Yanqiang3; Chu, Tianshu1,2 |
| 刊名 | Journal of photochemistry and photobiology a-chemistry
 |
| 出版日期 | 2018-12-01 |
| 卷号 | 367页码:282-289 |
| ISSN号 | 1010-6030 |
| 关键词 | Binding model Time-dependent density functional theory Weak interactions Tnp sensing Photoinduced electron transfer Binding energy |
| DOI | 10.1016/j.jphotochem.2018.08.047 |
| 通讯作者 | Chu, tianshu(tschu@dicp.ac.cn) |
| 英文摘要 | In this work, we mainly investigated the binding model for a 2,4,6-trinitrophenol(tnp) sensor 4,40-(9,9-dimethylfluorene-2,7-diy1)dibenzoic acid (dib) by employing dft and tddft methods. roles of the hydrogen-bonding and pi-pi stacking interactions have been discussed in detail. complexation energies and h-1 nmr spectra proved that the main binding model between dib and tnp is the pi-pi stacking. based on this proposed binding model, we further discussed the luminescence quenching of dib when binding to tnp. the ground and excited state calculations indicated that the sensing mechanism can be attributed to photoinduced electron transfer (pet). in addition, we calculated the binding energies between dib and different type nitro-explosives. among these complexes, tnp complex has the highest binding energy, which explains the excellent selectivity of dib for tnp molecule. |
| WOS关键词 | PHOTOINDUCED ELECTRON-TRANSFER ; INTRAMOLECULAR CHARGE-TRANSFER ; METAL-ORGANIC FRAMEWORKS ; ANION SENSING MECHANISM ; EXPLOSIVE PICRIC ACID ; NITROAROMATIC EXPLOSIVES ; SELECTIVE DETECTION ; PHOTOPHYSICAL PROPERTIES ; SENSITIVE DETECTION ; EXCITED-STATE |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Physical |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCIENCE SA |
| WOS记录号 | WOS:000450377500033 |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2372998 |
| 专题 | 大连化学物理研究所 |
| 通讯作者 | Chu, Tianshu |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 2.Qingdao Univ, Inst Computat Sci & Engn Lab New Fiber Mat & Mode, Growing Base State Key Lab, Qingdao 266071, Peoples R China 3.China Acad Engn Phys, Inst Fluid Phys, Key Lab Shock Wave & Detonat Phys, Mianyang 621900, Peoples R China 4.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Ma, Yinhua,Zhao, Jinfeng,Liu, Jianyong,et al. A binding model study on tnp fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid[J]. Journal of photochemistry and photobiology a-chemistry,2018,367:282-289. |
| APA | Ma, Yinhua,Zhao, Jinfeng,Liu, Jianyong,Yang, Yanqiang,&Chu, Tianshu.(2018).A binding model study on tnp fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid.Journal of photochemistry and photobiology a-chemistry,367,282-289. |
| MLA | Ma, Yinhua,et al."A binding model study on tnp fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid".Journal of photochemistry and photobiology a-chemistry 367(2018):282-289. |
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来源：大连化学物理研究所
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