Novel Method of Constructing Two-Dimensional Correlation Spectroscopy without Subtracting a Reference Spectrum
文献类型：期刊论文
| 作者 | He, Anqi1,2,3; Zeng, Yiwei1; Kang, Xiaoyan4; Morita, Shigeaki5; Xu, Yizhuang1,2; Noda, Isao1,6; Ozaki, Yukihiro1,4; Wu, Jinguang1 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2018-01-25 |
| 卷号 | 122期号:3页码:788-797 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/acs.jpca.7b10710 |
| 英文摘要 | In this study, we propose a new approach to generate two-dimension spectra to enhance the intensity of cross peaks relevant to intermolecular interaction. We investigate intermolecular interaction between two solutes (denoted as P and Q, where P has a characteristic peak at X-P) dissolved in the same solvent via the near diagonal cross peaks around the coordinate (X-P, X-P) in a two-dimensional (2D) asynchronous spectrum of generalized spectroscopy. Because of physical constrains in many cases, the variation ranges of the initial concentrations of P or Q must be kept very narrow, leading to very weak cross peak intensities. The weak cross peaks vulnerable to noise bring about difficulty in the investigation of subtle intermolecular interaction. Herein, we propose a new of way constructing a 2D asynchronous spectrum without the subtraction of the average spectrum often used as a reference spectrum. Mathematical analysis and computer simulation demonstrate that the near diagonal cross peaks around the coordinate (X-P, X-P) in the 2D asynchronous spectrum using the new approach possess two characteristics: (1) they can still reflect an intermolecular interaction reliably; 2) the absolute intensities of the cross peaks are significantly stronger than those generated by the conventional method. We incorporate the novel method with the DAOSD (double asynchronous orthogonal sample design scheme) approach and applied the modified DAOSD approach to study hydrogen bonding behavior in diethyl either/methanol/THF system. The new approach made the weak cross peaks, which are not observable in 2D asynchronous spectrum generated using conventional approach, become observable. The appearance of the cross peak demonstrate that When a small amount of THF is introduced into diethyl solution containing low amount of methanol, THF breaks the methanol diethyl ether complex and forms methanol-THF complex via new hydrogen bond. This process takes place in spite of the fact that the content of diethyl ether is overwhelmingly larger than that of THF. The above result demonstrates that the new approach described in this article is applicable to enhance intensity of cross peaks in real chemical systems. |
| 语种 | 英语 |
| WOS记录号 | WOS:000423653100006 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/45521]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Xu, Yizhuang; Ozaki, Yukihiro |
| 作者单位 | 1.Peking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China 2.Ninhai Doubly Adv Mat Co Ltd, Ninhai 315602, Peoples R China 3.Kwansei Gakuin Univ, Sch Sci & Technol, Dept Chem, Sanda, Hyogo 6691337, Japan 4.Peking Univ, Sch Phys, Inst Heavy Ion Phys, Beijing 100871, Peoples R China 5.Osaka Electrocommun Univ, Dept Engn Sci, Osaka 5728530, Japan 6.Univ Delaware, Dept Mat Sci & Engn, Newark, DE 19716 USA |
| 推荐引用方式 GB/T 7714 | He, Anqi,Zeng, Yiwei,Kang, Xiaoyan,et al. Novel Method of Constructing Two-Dimensional Correlation Spectroscopy without Subtracting a Reference Spectrum[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2018,122(3):788-797. |
| APA | He, Anqi.,Zeng, Yiwei.,Kang, Xiaoyan.,Morita, Shigeaki.,Xu, Yizhuang.,...&Wu, Jinguang.(2018).Novel Method of Constructing Two-Dimensional Correlation Spectroscopy without Subtracting a Reference Spectrum.JOURNAL OF PHYSICAL CHEMISTRY A,122(3),788-797. |
| MLA | He, Anqi,et al."Novel Method of Constructing Two-Dimensional Correlation Spectroscopy without Subtracting a Reference Spectrum".JOURNAL OF PHYSICAL CHEMISTRY A 122.3(2018):788-797. |
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来源：化学研究所
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