Detailed dynamics of the nonradiative deactivation of adenine: A semiclassical dynamics study
文献类型：期刊论文
| 作者 | Lei, Yibo1,2; Yuan, Shuai1,2; Dou, Yusheng2,3; Wang, Yubin1; Wen, Zhenyi1,2 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2008-09-18 |
| 卷号 | 112页码:8497-8504 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/jp802483b |
| 英文摘要 | A realistic dynamics simulation study is reported for the ultrafast radiationless deactivation of 9H-adenine. The simulation follows two different excitations induced by two 80 fs (fwhm) laser pulses that are different in energy: one has a photon energy of 5.0 eV, and the other has a photon energy of 4.8 eV. The simulation shows that the excited molecule decays to the electronic ground state from the (1)pi pi* state in both excitations but through two different radiationless pathways: in the 5.0 eV excitation, the decay channel involves the out-of-plane vibration of the amino group, whereas in the 4.8 eV excitation, the decay strongly associates with the deformation of the pyrimidine at the C(2) atom. The lifetime of the (1)n pi* state determined in the simulation study is 630 fs for the 5.0 eV excitation and 1120 fs for the 4.8 eV excitation. These are consistent with the experimental values of 750 and 1000 fs. We conclude that the experimentally observed difference in the lifetime of the 1n pi* state at various excitations results from the different radiationless deactivation pathways of the excited molecule to the electronic ground state. |
| WOS关键词 | DOUBLE-RESONANCE SPECTROSCOPY ; JET-COOLED ADENINE ; RESOLVED PHOTOELECTRON-SPECTROSCOPY ; ELECTRONIC RELAXATION DYNAMICS ; ULTRAFAST INTERNAL-CONVERSION ; CIS-TRANS PHOTOISOMERIZATION ; EXCITED SINGLET-STATES ; FLUORESCENCE SPECTROSCOPY ; BASE-PAIRS ; DNA BASES |
| 资助项目 | National Natural Science Foundation of China[20773168] ; Chongqing Natural Science Foundation[300613132367] ; Chongqing Education Committee Science Technology[KJ070506] ; Nicholls State University |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000259140400003 |
| 出版者 | AMER CHEMICAL SOC |
| 资助机构 | National Natural Science Foundation of China ; Chongqing Natural Science Foundation ; Chongqing Education Committee Science Technology ; Nicholls State University |
| 源URL | [http://119.78.100.186/handle/113462/29768]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Dou, Yusheng |
| 作者单位 | 1.NW Univ Xian, Inst Modern Phys, Xian 710069, Shaanxi, Peoples R China 2.Chongqing Univ Posts & Telecommun, Inst Computat Chem, Chongqing 400065, Peoples R China 3.Nicholls State Univ, Dept Phys Sci, Thibodaux, LA 70310 USA |
| 推荐引用方式 GB/T 7714 | Lei, Yibo,Yuan, Shuai,Dou, Yusheng,et al. Detailed dynamics of the nonradiative deactivation of adenine: A semiclassical dynamics study[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2008,112:8497-8504. |
| APA | Lei, Yibo,Yuan, Shuai,Dou, Yusheng,Wang, Yubin,&Wen, Zhenyi.(2008).Detailed dynamics of the nonradiative deactivation of adenine: A semiclassical dynamics study.JOURNAL OF PHYSICAL CHEMISTRY A,112,8497-8504. |
| MLA | Lei, Yibo,et al."Detailed dynamics of the nonradiative deactivation of adenine: A semiclassical dynamics study".JOURNAL OF PHYSICAL CHEMISTRY A 112(2008):8497-8504. |
入库方式： OAI收割
来源：近代物理研究所
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