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题名: Intramolecular charge transfer in the porphyrin-oligothiophene-fullerene triad
作者: Sun, MT;  Song, P;  Chen, YH;  Ma, FC
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2005-11-29
DOI: 10.1016/j.cplett.2005.09.067
卷: 416, 期:1-3, 页:94-99
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: Intramolecular charge transfer (ICT) in porphyrin-oligothiophene-fullerene triad was reported experimentally [J. Ikemoto, K. Takimiya, Y. Aso. T. Otsubo, M. Fujitsuka, O. Ito, Org. Lett. 4 (2002) 309], and the weak distance dependence of the oligothiophene spacer was found. In this Letter, ICT in this triad is theoretically investigated with quantum chemistry method as well as the 2D and 3D real space analysis methods. The calculated transition energies and oscillator strengths are consistent with the experimental data. The theoretical analysis with 2D and 3D real space analysis reveal that there are two ICT mechanisms. The experimental weak distance dependence of the oligothiophene spacer is benefitted from the superexchange mechanism. (c) 2005 Elsevier B.V. All rights reserved.
关键词[WOS]: CONJUGATED ORGANIC-MOLECULES ;  DENSITY-FUNCTIONAL THEORY ;  ELECTRON-TRANSFER ;  EXCITED-STATE ;  ENERGY-TRANSFER ;  LINKED TRIADS ;  ACCEPTOR ;  DONOR ;  POLARIZABILITIES ;  SUPEREXCHANGE
语种: 英语
WOS记录号: WOS:000233687000019
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/139628
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.Lund Univ, Dept Phys Chem, SE-22100 Lund, Sweden
2.Liaoning Univ, Dept Phys, Shenyang 110036, Peoples R China
3.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Sun, MT,Song, P,Chen, YH,et al. Intramolecular charge transfer in the porphyrin-oligothiophene-fullerene triad[J]. CHEMICAL PHYSICS LETTERS,2005,416(1-3):94-99.
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