Theoretical and experimental study on the intramolecular charge transfer excited state of the new highly fluorescent terpyridine compound

	Theoretical and experimental study on the intramolecular charge transfer excited state of the new highly fluorescent terpyridine compound
	Song, Peng 1,3; Sun, Shi-Guo 2; Liu, Jian-Yong 1; Xu, Yong-Qian 2; Han, Ke-Li 1; Peng, Xiao-Jun 2
刊名	spectrochimica acta part a-molecular and biomolecular spectroscopy
	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
通讯作者	韩克利 ; 彭孝军
产权排序	1;1
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
内容类型	期刊论文
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.