Theoretical and experimental study on the intramolecular charge transfer excited state of the new highly fluorescent terpyridine compound
文献类型：期刊论文
| 作者 | Song, Peng1,3; Sun, Shi-Guo2; Liu, Jian-Yong1; Xu, Yong-Qian2; Han, Ke-Li1; Peng, Xiao-Jun2 |
| 刊名 | spectrochimica acta part a-molecular and biomolecular spectroscopy
 |
| 出版日期 | 2009-10-15 |
| 卷号 | 74期号:3页码:753-757 |
| 关键词 | Excited state Twisted intramolecular charge transfer Relaxation dynamics Fluorescence spectra |
| 产权排序 | 1;1 |
| 通讯作者 | 韩克利 ; 彭孝军 |
| 英文摘要 | experimental and theoretical methods have been used to investigate the relaxation dynamics and photophysical properties of the donor-acceptor compound 4'-(4-n,n-diphenylaminophenyl)-2,2':6',2 ''-terpyridine (dpapt), a compound which is found to exhibit efficient intramolecular charge transfer emission in polar solvents with relatively large stokes shifts and strong solvatochromism. the difference between the ground and excited state dipole moments (delta mu) is estimated to be 13.7 d on the basis of lippert-mataga models. to gain insight into the relaxation dynamics of dpapt in the excited state, the potential energy curves for conformational relaxation are calculated. from the frontier molecular orbital (mo) pictures at the geometry of the twisted ict excited state, the intramolecular charger transfer mainly takes place from homo (triphenylamine) to lumo (terpyridine) in this donor-acceptor system. (c) 2009 elsevier b.v. all rights reserved. |
| WOS标题词 | science & technology ; technology |
| 类目[WOS] | spectroscopy |
| 研究领域[WOS] | spectroscopy |
| 关键词[WOS] | sensitized solar-cells ; cross-coupling reactions ; donor-acceptor systems ; electron-transfer ; ru/os complexes ; dyes ; 4-(dialkylamino)benzonitriles ; photoisomerization ; enhancement ; molecules |
| 收录类别 | SCI |
| 原文出处 | false |
| 语种 | 英语 |
| WOS记录号 | WOS:000271048300024 |
| 公开日期 | 2010-11-30 |
| 源URL | [http://159.226.238.44/handle/321008/102025]  |
| 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.Dalian Univ Technol, State Key Lab Fine Chem, Dalian 116012, Peoples R China 3.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Song, Peng,Sun, Shi-Guo,Liu, Jian-Yong,et al. Theoretical and experimental study on the intramolecular charge transfer excited state of the new highly fluorescent terpyridine compound[J]. spectrochimica acta part a-molecular and biomolecular spectroscopy,2009,74(3):753-757. |
| APA | Song, Peng,Sun, Shi-Guo,Liu, Jian-Yong,Xu, Yong-Qian,Han, Ke-Li,&Peng, Xiao-Jun.(2009).Theoretical and experimental study on the intramolecular charge transfer excited state of the new highly fluorescent terpyridine compound.spectrochimica acta part a-molecular and biomolecular spectroscopy,74(3),753-757. |
| MLA | Song, Peng,et al."Theoretical and experimental study on the intramolecular charge transfer excited state of the new highly fluorescent terpyridine compound".spectrochimica acta part a-molecular and biomolecular spectroscopy 74.3(2009):753-757. |
入库方式： OAI收割
来源：大连化学物理研究所
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