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题名: Dynamic simulation study on ultrafast excited-state torsional dynamics of 9,9 '-bianthryl (BA) in gas phase: Real-time observation of novel oscillation behavior with the torsional coordinate
作者: Zhao, Guang-Jiu1, 2;  Liu, Yu-Hui1, 2;  Han, Ke-Li1;  Dou, Yusheng3
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2008-02-20
DOI: 10.1016/j.cplett.2008.01.015
卷: 453, 期:1-3, 页:29-34
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: Detailed dynamic simulation study on the excited-state torsional dynamics of the gas phase 9,9'-bianthryl (BA) following photoexcitation to its S1 state by a femtosecond laser pulse has been reported for the first time. The novel oscillation behavior with the torsional coordinate between the two symmetric potential minima of the S1 state is observed by real-time monitoring dihedral angles formed by the two anthracene moieties. The dihedral angles are twisted between 60 degrees and 120 degrees. At the same time, the central C-C bond is shortened following the conformational torsion. Our simulation results are in good agreement with the previous spectroscopic studies. (C) 2008 Elsevier B.V. All rights reserved.
关键词[WOS]: INTRAMOLECULAR CHARGE-TRANSFER ;  ELECTRON-TRANSFER ;  SYMMETRY-BREAKING ;  AB-INITIO ;  FREE JET ;  SPECTROSCOPY ;  FLUORESCENCE ;  ABSORPTION ;  9,9-BIANTHRYL ;  SOLVATION
语种: 英语
WOS记录号: WOS:000253883500006
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140822
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 116023, Peoples R China
2.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China
3.Nicholls State Univ, Dept Phys Sci, Thibodaux, LA 70310 USA

Recommended Citation:
Zhao, Guang-Jiu,Liu, Yu-Hui,Han, Ke-Li,et al. Dynamic simulation study on ultrafast excited-state torsional dynamics of 9,9 '-bianthryl (BA) in gas phase: Real-time observation of novel oscillation behavior with the torsional coordinate[J]. CHEMICAL PHYSICS LETTERS,2008,453(1-3):29-34.
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