Differentiation between Enamines and Tautomerizable Imines Oxidation Reaction Mechanism using Electron-Vibration-Vibration Two Dimensional Infrared Spectroscopy
文献类型：期刊论文
| 作者 | Long, Fengqin1,2; Chen, Zheng3,4; Han, Keli1; Zhang, Lu3; Zhuang, Wei3 |
| 刊名 | MOLECULES
 |
| 出版日期 | 2019-03-01 |
| 卷号 | 24期号:5页码:15 |
| 关键词 | electron-vibration-vibration two dimensional spectroscopy reaction intermediate enamine imine |
| ISSN号 | 1420-3049 |
| DOI | 10.3390/molecules24050869 |
| 通讯作者 | Han, Keli(klhan@dicp.ac.cn) ; Zhang, Lu(luzhang@fjirsm.ac.cn) ; Zhuang, Wei(wzhuang@fjirsm.ac.cn) |
| 英文摘要 | Intermediates lie at the center of chemical reaction mechanisms. However, detecting intermediates in an organic reaction and understanding its role in reaction mechanisms remains a big challenge. In this paper, we used the theoretical calculations to explore the potential of the electron-vibration-vibration two-dimensional infrared (EVV-2DIR) spectroscopy in detecting the intermediates in the oxidation reactions of enamines and tautomerizable imines with 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO). We show that while it is difficult to identify the intermediates from their infrared and Raman signals, the simulated EVV-2DIR spectra of these intermediates have well resolved spectral features, which are absent in the signals of reactants and products. These characteristic spectral signatures can, therefore, be used to reveal the reaction mechanism as well as monitor the reaction progress. Our work suggests the potential strength of EVV-2DIR technique in studying the molecular mechanism of organic reactions in general. |
| WOS关键词 | HYDROGEN-BOND ; IR ; INTERMEDIATE ; COMPLEXES ; CHEMISTRY ; DYNAMICS |
| 资助项目 | National Key Research and Development Program of China[2017YFA0206801] ; National Key Research and Development Program of China[2018YFA0208604] ; National Natural Science Foundation of China[21733007] ; National Natural Science Foundation of China[21803071] ; National 1000 Youth Talents Program |
| WOS研究方向 | Biochemistry & Molecular Biology ; Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000462662900045 |
| 出版者 | MDPI |
| 资助机构 | National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National 1000 Youth Talents Program ; National 1000 Youth Talents Program ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National 1000 Youth Talents Program ; National 1000 Youth Talents Program ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National 1000 Youth Talents Program ; National 1000 Youth Talents Program ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; National 1000 Youth Talents Program ; National 1000 Youth Talents Program |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/165616]  |
| 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 | Han, Keli; Zhang, Lu; Zhuang, Wei |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China 4.Fudan Univ, Collaborat Innovat Ctr Chem Energy Mat, Shanghai Key Lab Mol Catalysis & Innovat Mat, MOE Key Lab Computat Phys Sci,Dept Chem, Shanghai 200433, Peoples R China |
| 推荐引用方式 GB/T 7714 | Long, Fengqin,Chen, Zheng,Han, Keli,et al. Differentiation between Enamines and Tautomerizable Imines Oxidation Reaction Mechanism using Electron-Vibration-Vibration Two Dimensional Infrared Spectroscopy[J]. MOLECULES,2019,24(5):15. |
| APA | Long, Fengqin,Chen, Zheng,Han, Keli,Zhang, Lu,&Zhuang, Wei.(2019).Differentiation between Enamines and Tautomerizable Imines Oxidation Reaction Mechanism using Electron-Vibration-Vibration Two Dimensional Infrared Spectroscopy.MOLECULES,24(5),15. |
| MLA | Long, Fengqin,et al."Differentiation between Enamines and Tautomerizable Imines Oxidation Reaction Mechanism using Electron-Vibration-Vibration Two Dimensional Infrared Spectroscopy".MOLECULES 24.5(2019):15. |
入库方式： OAI收割
来源：大连化学物理研究所
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