New Insights into the Dual Fluorescence of Methyl Salicylate: Effects of Intermolecular Hydrogen Bonding and Solvation
文献类型：期刊论文
| 作者 | Zhou, Panwang1; Hoffmann, Mark R.2; Han, Keli1; He, Guozhong1 |
| 刊名 | journal of physical chemistry b
 |
| 出版日期 | 2015-02-12 |
| 卷号 | 119期号:6页码:2125-2131 |
| 英文摘要 | in this paper, we propose a new and complete mechanism for dual fluorescence of methyl salicylate (ms) under different conditions using a combined experimental (i.e., steady-state absorption and emission spectra and time-resolved fluorescence spectra) and theoretical (i.e., time-dependent density function theory) study. first, our theoretical study indicates that the barrier height for excited state intramolecular proton transfer (esipt) reaction of ketob depends on the solvent polarity. in nonpolar solvents, the esipt reaction of ketob is barrierless; the barrier height will increase with increasing solvent polarity. second, we found that, in alcoholic solvents, intermolecular hydrogen bonding plays a more important role. the ketob form of ms can form two hydrogen bonds with alcoholic solvents; one will facilitate esipt and produce the emission band in the blue region; the other one precludes esipt and produces the emission band in the near-uv region. our proposed new mechanism can well explain previous results as well as our new experimental results. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, physical |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | density-functional theory ; proton-transfer reactions ; excited-state ; intramolecular proton ; 2-hydroxybenzoyl compounds ; anisotropic dielectrics ; polarization propagator ; identity approximation ; acid ; resolution |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000349578600005 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/145941]  |
| 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.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China 2.Univ N Dakota, Dept Chem, Grand Forks, ND 58202 USA |
| 推荐引用方式 GB/T 7714 | Zhou, Panwang,Hoffmann, Mark R.,Han, Keli,et al. New Insights into the Dual Fluorescence of Methyl Salicylate: Effects of Intermolecular Hydrogen Bonding and Solvation[J]. journal of physical chemistry b,2015,119(6):2125-2131. |
| APA | Zhou, Panwang,Hoffmann, Mark R.,Han, Keli,&He, Guozhong.(2015).New Insights into the Dual Fluorescence of Methyl Salicylate: Effects of Intermolecular Hydrogen Bonding and Solvation.journal of physical chemistry b,119(6),2125-2131. |
| MLA | Zhou, Panwang,et al."New Insights into the Dual Fluorescence of Methyl Salicylate: Effects of Intermolecular Hydrogen Bonding and Solvation".journal of physical chemistry b 119.6(2015):2125-2131. |
入库方式： OAI收割
来源：大连化学物理研究所
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