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
文献类型：期刊论文
| 作者 | Zhao, Guang-Jiu1,2; Liu, Yu-Hui1,2; Han, Ke-Li1; Dou, Yusheng3 |
| 刊名 | Chemical physics letters
 |
| 出版日期 | 2008-02-20 |
| 卷号 | 453期号:1-3页码:29-34 |
| ISSN号 | 0009-2614 |
| DOI | 10.1016/j.cplett.2008.01.015 |
| 通讯作者 | Han, ke-li(klhan@dicp.ac.cn) |
| 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. |
| WOS关键词 | INTRAMOLECULAR CHARGE-TRANSFER ; ELECTRON-TRANSFER ; SYMMETRY-BREAKING ; AB-INITIO ; FREE JET ; SPECTROSCOPY ; FLUORESCENCE ; ABSORPTION ; 9,9-BIANTHRYL ; SOLVATION |
| WOS研究方向 | Chemistry ; Physics |
| WOS类目 | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| 语种 | 英语 |
| WOS记录号 | WOS:000253883500006 |
| 出版者 | ELSEVIER SCIENCE BV |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2385357 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Han, Ke-Li |
| 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 |
| 推荐引用方式 GB/T 7714 | 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. |
| APA | Zhao, Guang-Jiu,Liu, Yu-Hui,Han, Ke-Li,&Dou, Yusheng.(2008).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.Chemical physics letters,453(1-3),29-34. |
| MLA | Zhao, Guang-Jiu,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".Chemical physics letters 453.1-3(2008):29-34. |
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来源：中国科学院大学
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