Excited-state deactivation of 5-vinyluracil: Effects of pi-pi conjugation and intramolecular hydrogen bond C-H center dot center dot center dot O=C
文献类型：期刊论文
| 作者 | Liu, Yan1,2; Yang, Songqiu1 |
| 刊名 | JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
 |
| 出版日期 | 2016-11-01 |
| 卷号 | 330页码:1-7 |
| 关键词 | Uracil Derivatives Conjugation Effect Intramolecular Hydrogen Bond Excited-state Lifetimes Conical Intersections |
| ISSN号 | 1010-6030 |
| DOI | 10.1016/j.jphotochem.2016.07.012 |
| 文献子类 | Article |
| 英文摘要 | The excited-state decay mechanisms of 5-vinyluracil (5VU) are explored by using a combination of experimental and theoretical methods. The effects of vinyl substitutent, including the pi-pi conjugation effect and intramolecular hydrogen bond, are discussed. 5VU comprises the conformers 5VUA and 5VUB at ground state, with and without an intramolecular hydrogen bond C-H center dot center dot center dot O=C, respectively. The steady-state absorption and fluorescence spectra of 5VU are significantly red-shifted with respect to that of uracil. The time-resolved experimental results show that the excited-state decays of 5VU can be described by using three time constants: 2.26 ps, 13.45 ps and 4.66 ns. The decay pathways of 5VU obtained with the linearly interpolated internal coordinate method, predict that the two shorter lifetimes of 2.26 ps and 13.45 ps are attributed to 5VUB, and that the longest lifetime of 4.66 ns is attributed to 5VUA. (C) 2016 Elsevier B.V. All rights reserved. |
| WOS关键词 | FLUORESCENCE UP-CONVERSION ; DENSITY-FUNCTIONAL THEORY ; RADIATIONLESS DECAY ; PYRIMIDINE-BASES ; AB-INITIO ; CONICAL INTERSECTIONS ; INTERNAL-CONVERSION ; SUBSTITUTED URACILS ; AQUEOUS-SOLUTION ; CHARGE-TRANSFER |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000383295300001 |
| 出版者 | ELSEVIER SCIENCE SA |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/170244]  |
| 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 |
| 通讯作者 | Yang, Songqiu |
| 作者单位 | 1.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, 457 Zhongshan Rd, Dalian 116023, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Yan,Yang, Songqiu. Excited-state deactivation of 5-vinyluracil: Effects of pi-pi conjugation and intramolecular hydrogen bond C-H center dot center dot center dot O=C[J]. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,2016,330:1-7. |
| APA | Liu, Yan,&Yang, Songqiu.(2016).Excited-state deactivation of 5-vinyluracil: Effects of pi-pi conjugation and intramolecular hydrogen bond C-H center dot center dot center dot O=C.JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,330,1-7. |
| MLA | Liu, Yan,et al."Excited-state deactivation of 5-vinyluracil: Effects of pi-pi conjugation and intramolecular hydrogen bond C-H center dot center dot center dot O=C".JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 330(2016):1-7. |
入库方式： OAI收割
来源：大连化学物理研究所
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