Wagging motion of hydrogen-bonded wire in the excited-state multiple proton transfer process of 7-hydroxyquinoline center dot(NH3)(3) cluster
文献类型：期刊论文
| 作者 | Liu, Yu-Hui1,2; Lan, Sheng-Cheng1; Li, Chun-Ran1 |
| 刊名 | spectrochimica acta part a-molecular and biomolecular spectroscopy
 |
| 出版日期 | 2013-08-01 |
| 卷号 | 112页码:257-262 |
| 关键词 | Excited-state proton transfer Hydrogen-bonded wire Wagging motion Time-dependent density functional theory |
| 英文摘要 | in this work, the dynamics of hydrogen bonds (as well as the hydrogen-bonded wire) in excited-state tautomerization of 7-hydroxyquinoline center dot(nh3)(3) (7hq center dot(nh3)(3)) cluster has been investigated by using time-dependent density functional theory (tddft). it shows that upon an excitation, the hydrogen bond between -oh group in 7-hydroxyquinoline (7hq) and nh3 moiety would extremely strengthened in s-1 state, which could effectively facilitate the releasing of the proton from the phenolic group of 7hq moiety to the hydrogen-bonded wire and the forming an eigen-like cationic wire (nh3 center dot center dot center dot nh4+ center dot center dot center dot nh3) in the cluster. to fulfill the different optimal angles of nh4+ in the wire, a wagging motion of hydrogen-bonded wire would occur in excited state. moreover, the wagging motion of the hydrogen-bonded wire would effectively promote excited-state proton transfer reaction. as the results, an excited-state multiple proton transfer (esmpt) mechanism containing two concerted and asymmetrical processes has been proposed for the proton transfer dynamics of 7hq center dot(nh3)(3) cluster. (c) 2013 elsevier b.v. all rights reserved. |
| WOS标题词 | science & technology ; technology |
| 类目[WOS] | spectroscopy |
| 研究领域[WOS] | spectroscopy |
| 关键词[WOS] | identity approximation ; super photoacids ; atom-transfer ; ammonia-wire ; model cc2 ; fluorescence ; molecules ; solvent ; water ; photochemistry |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000321404300034 |
| 公开日期 | 2015-11-10 |
| 源URL | [http://159.226.238.44/handle/321008/137752]  |
| 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 |
| 作者单位 | 1.Bohai Univ, Dept Phys, Coll Math & Phys, Jinzhou 121013, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Yu-Hui,Lan, Sheng-Cheng,Li, Chun-Ran. Wagging motion of hydrogen-bonded wire in the excited-state multiple proton transfer process of 7-hydroxyquinoline center dot(NH3)(3) cluster[J]. spectrochimica acta part a-molecular and biomolecular spectroscopy,2013,112:257-262. |
| APA | Liu, Yu-Hui,Lan, Sheng-Cheng,&Li, Chun-Ran.(2013).Wagging motion of hydrogen-bonded wire in the excited-state multiple proton transfer process of 7-hydroxyquinoline center dot(NH3)(3) cluster.spectrochimica acta part a-molecular and biomolecular spectroscopy,112,257-262. |
| MLA | Liu, Yu-Hui,et al."Wagging motion of hydrogen-bonded wire in the excited-state multiple proton transfer process of 7-hydroxyquinoline center dot(NH3)(3) cluster".spectrochimica acta part a-molecular and biomolecular spectroscopy 112(2013):257-262. |
入库方式： OAI收割
来源：大连化学物理研究所
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