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题名: Ultrafast excited-state dynamics of tetraphenylethylene studied by semiclassical simulation
作者: Zhao, Guang-Jiu;  Han, Ke-Li;  Lei, Yi-Bo;  Dou, Yu-Sheng
通讯作者: 韩克利
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2007-09-07
DOI: 10.1063/1.2768347
卷: 127, 期:9, 页:094307-1-094307-6
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 ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
英文摘要: Detailed simulation study is reported for the excited-state dynamics of photoisomerization of cis-tetraphenylethylene (TPE) following excitation by a femtosecond laser pulse. The technique for this investigation is semiclassical dynamics simulation, which is described briefly in the paper. Upon photoexcitation by a femtosecond laser pulse, the stretching motion of the ethylenic bond of TPE is initially excited, leading to a significant lengthening of ethylenic bond in 300 fs. Twisting motion about the ethylenic bond is activated by the energy released from the relaxation of the stretching mode. The 90 degrees twisting about the ethylenic bond from an approximately planar geometry to nearly a perpendicular conformation in the electronically excited state is completed in 600 fs. The torsional dynamics of phenyl rings which is temporally lagging behind occurs at about 5 ps. Finally, the twisted TPE reverts to the initial conformation along the twisting coordinate through nonadiabatic transitions. The simulation results provide a basis for understanding several spectroscopic observations at molecular levels, including ultrafast dynamic Stokes shift, multicomponent fluorescence, viscosity dependence of the fluorescence lifetime, and radiationless decay from electronically excited state to the ground state along the isomerization coordinate. (C) 2007 American Institute of Physics.
关键词[WOS]: CIS-TRANS PHOTOISOMERIZATION ;  PICOSECOND OPTICAL CALORIMETRY ;  PHOTOCHEMICAL-REACTION ;  SUDDEN POLARIZATION ;  POTENTIAL-ENERGY ;  LASER-PULSES ;  ISOMERIZATION ;  STILBENE ;  MOLECULES ;  ACID
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000249323700015
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/99165
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 116203, Peoples R China
2.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China
3.NW Univ Xian, Inst Modern Phys, Xian 710069, Peoples R China
4.Nicholls State Univ, Dept Phys Sci, Thibodaux, LA 70310 USA

Recommended Citation:
Zhao, Guang-Jiu,Han, Ke-Li,Lei, Yi-Bo,et al. Ultrafast excited-state dynamics of tetraphenylethylene studied by semiclassical simulation[J]. JOURNAL OF CHEMICAL PHYSICS,2007,127(9):094307-1-094307-6.
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