Photoinduced intramolecular charge-transfer state in thiophene-pi-conjugated donor-acceptor molecules

	Photoinduced intramolecular charge-transfer state in thiophene-pi-conjugated donor-acceptor molecules
	Chen, Ruikui 1; Zhao, Guangjiu 2; Yang, Xichuan 1; Jiang, Xiao 1; Liu, Jifeng 2; Tian, Haining 1; Gao, Yan 1; Liu, Xien 1; Han, Keli 2; Sun, Mengtao 3
刊名	journal of molecular structure
	2008-03-30
卷号	876 期号:1-3 页码:102-109
关键词	intramolecular charge transfer donor-pi-acceptor tetrahydroquinoline thiophene time-dependent density functional theory
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.
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, physical
研究领域[WOS]	chemistry
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
收录类别	SCI
语种	英语
WOS记录号	WOS:000255261600010
公开日期	2015-11-17
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/141119]
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.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
推荐引用方式 GB/T 7714	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.
APA	Chen, Ruikui.,Zhao, Guangjiu.,Yang, Xichuan.,Jiang, Xiao.,Liu, Jifeng.,...&Sun, Licheng.(2008).Photoinduced intramolecular charge-transfer state in thiophene-pi-conjugated donor-acceptor molecules.journal of molecular structure,876(1-3),102-109.
MLA	Chen, Ruikui,et al."Photoinduced intramolecular charge-transfer state in thiophene-pi-conjugated donor-acceptor molecules".journal of molecular structure 876.1-3(2008):102-109.