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题名: Theoretical and experimental study on the intramolecular charge transfer excited state of the new highly fluorescent terpyridine compound
作者: Song, Peng1, 3;  Sun, Shi-Guo2;  Liu, Jian-Yong1;  Xu, Yong-Qian2;  Han, Ke-Li1;  Peng, Xiao-Jun2
通讯作者: 韩克利 ;  彭孝军
关键词: Excited state ;  Twisted intramolecular charge transfer ;  Relaxation dynamics ;  Fluorescence spectra
刊名: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
发表日期: 2009-10-15
DOI: 10.1016/j.saa.2009.08.010
卷: 74, 期:3, 页:753-757
收录类别: SCI
文章类型: Article
部门归属: 11
项目归属: 1101
产权排名: 1;1
WOS标题词: Science & Technology ;  Technology
类目[WOS]: Spectroscopy
研究领域[WOS]: Spectroscopy
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.
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
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000271048300024
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/102025
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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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

Recommended Citation:
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.
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