Orthogonal sample design scheme for two-dimensional synchronous spectroscopy and its application in probing intermolecular interactions
文献类型：期刊论文
| 作者 | Qi, Jian2; Li, Huizhen2; Huang, Kun2; Chen, Huhe2; Liu, Shaoxuan2; Yang, Limin2; Zhao, Ying1; Zhang, Chengfeng1; Li, Wehiong2; Wu, Jinguang2 |
| 刊名 | APPLIED SPECTROSCOPY
 |
| 出版日期 | 2007-12-01 |
| 卷号 | 61期号:12页码:1359-1365 |
| ISSN号 | 0003-7028 |
| 关键词 | Orthogonal Two-dimensional Correlation Analysis 2d Correlation Analysis Synchronous Spectrum Cross-peaks Intermolecular Interaction |
| 英文摘要 | This paper introduces a new approach to probing intermolecular interactions based on a framework of two-dimensional (2D) synchronous spectroscopy. Mathematical analysis performed on 2D synchronous spectra using variable concentration as an external perturbation shows that the cross-peaks are composed of two parts. The first part reflects intermolecular interactions that manifest in the form of deviation from the Beer-Lambert law. The second part is related simply to the concentration variations of the solutes and is responsible for the generation of interfering cross-peaks not related to the intermolecular interactions in the system. It is the second part that prevents the reliable identification of intermolecular interactions. We propose a way of selecting the concentrations of solutes so that the resultant dynamic concentration vectors of different solutes become orthogonal to one another. Therefore, the contribution of the second part to the cross-peaks can be effectively removed by the dot product of orthogonal vectors. Our new approach has been tested on a simulated chemical system and a real chemical system. The results demonstrate that interfering cross-peaks can be successfully removed from a 2D synchronous spectrum so that the cross-peaks can be used as a reliable tool to characterize or probe intermolecular interactions. |
| 语种 | 英语 |
| 出版者 | SOC APPLIED SPECTROSCOPY |
| WOS记录号 | WOS:000251598600014 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/62603]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zhao, Ying |
| 作者单位 | 1.Chinese Acad Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing 100080, Peoples R China 2.Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China 3.Procter & Gamble Co, W Chester, OH 45069 USA |
| 推荐引用方式 GB/T 7714 | Qi, Jian,Li, Huizhen,Huang, Kun,et al. Orthogonal sample design scheme for two-dimensional synchronous spectroscopy and its application in probing intermolecular interactions[J]. APPLIED SPECTROSCOPY,2007,61(12):1359-1365. |
| APA | Qi, Jian.,Li, Huizhen.,Huang, Kun.,Chen, Huhe.,Liu, Shaoxuan.,...&Noda, Isao.(2007).Orthogonal sample design scheme for two-dimensional synchronous spectroscopy and its application in probing intermolecular interactions.APPLIED SPECTROSCOPY,61(12),1359-1365. |
| MLA | Qi, Jian,et al."Orthogonal sample design scheme for two-dimensional synchronous spectroscopy and its application in probing intermolecular interactions".APPLIED SPECTROSCOPY 61.12(2007):1359-1365. |
入库方式： OAI收割
来源：化学研究所
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