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题名: Photoinduced intramolecular charge-transfer state in thiophene-pi-conjugated donor-acceptor molecules
作者: Chen, Ruikui1;  Zhao, Guangjiu2;  Yang, Xichuan1;  Jiang, Xiao1;  Liu, Jifeng2;  Tian, Haining1;  Gao, Yan1;  Liu, Xien1;  Han, Keli2;  Sun, Mengtao3;  Sun, Licheng1, 4
关键词: intramolecular charge transfer ;  donor-pi-acceptor ;  tetrahydroquinoline ;  thiophene ;  time-dependent density functional theory
刊名: JOURNAL OF MOLECULAR STRUCTURE
发表日期: 2008-03-30
DOI: 10.1016/j.molstruc.2007.05.045
卷: 876, 期:1-3, 页:102-109
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical
研究领域[WOS]: Chemistry
英文摘要: Novel thiophene-pi-conjugated donor-acceptor molecules, 5-[2-(1,2,2,4-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)-vinyl]-thiophene2-carbaldehyde (QTC) and (1-cyano-2-{5-[2-(1,2,2,4-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)-vinyl]-thiophen-2-yl}-vinyl)-phosphonic acid diethyl ester (QTCP), were designed and synthesized. Combined experimental and theoretical methods were performed to investigate the photoinduced intramolecular charge-transfer (ICT) processes of these compounds. Steady-state absorption and fluorescence measurements in different solvents indicate the photoinduced ICT characters of QTC and QTCP. Solvent dependency of the large Stokes shifts and high dipole moment of the excited state also support the charge-transfer character of the excited state. Theoretical calculations based on time-dependent density functional theory (TDDFT) method were performed to investigate ICT states of these compounds. The results reveal that the excited states have adopted a distortion of the C=C double bond between the donor moiety and the thiophene-pi-bridge. (c) 2007 Elsevier B.V. All rights reserved.
关键词[WOS]: 2ND-ORDER NONLINEAR OPTICS ;  PUSH-PULL CHROMOPHORES ;  ELECTRONIC EXCITED-STATES ;  POTENTIAL-ENERGY SURFACES ;  PARA-DMABN DERIVATIVES ;  PSEUDO-JAHN-TELLER ;  ELECTROGENERATED CHEMILUMINESCENCE ;  TWISTED DONOR ;  TICT-MODELS ;  SYSTEMS
语种: 英语
WOS记录号: WOS:000255261600010
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/141119
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.Dalian Univ Technol, DUT KTH Joint Educ & Res Ctr Mol Devices, State Key Lab Fine Chem, Dalian 116012, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
3.Chinese Acad Sci, Inst Phys, Natl Lab Condensed State Matter Phys, Beijing 100080, Peoples R China
4.Royal Inst Technol, Dept Chem Organ Chem, Ctr Mol Devices, Stockholm 10044, Sweden

Recommended Citation:
Chen, Ruikui,Zhao, Guangjiu,Yang, Xichuan,et al. Photoinduced intramolecular charge-transfer state in thiophene-pi-conjugated donor-acceptor molecules[J]. JOURNAL OF MOLECULAR STRUCTURE,2008,876(1-3):102-109.
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