Asynchronous Orthogonal Sample Design Scheme for Two-Dimensional Correlation Spectroscopy (2D-COS) and Its Application in Probing Intermolecular Interactions from Overlapping Infrared (IR) Bands
文献类型：期刊论文
| 作者 | Li, Xiaopei1,2; Pan, Qinghua; Chen, Jing2; Liu, Shaoxuan2; He, Anqi2; Liu, Cuige1; Wei, Yongju1; Huang, Kun3; Yang, Limin4; Feng, Juan5 |
| 刊名 | APPLIED SPECTROSCOPY
 |
| 出版日期 | 2011-08-01 |
| 卷号 | 65期号:8页码:901-917 |
| 关键词 | Two-dimensional correlation spectroscopy 2D-COS Intermolecular interaction Asynchronous orthogonal sample design AOSD Orthogonality |
| ISSN号 | 0003-7028 |
| 其他题名 | Appl. Spectrosc. |
| 中文摘要 | This paper introduces a new approach to analysis of spectra called asynchronous orthogonal sample design (AOSD). Specifically designed concentration series are selected according to mathematical analysis of orthogonal vectors. Based on the AOSD approach, the interfering portion of the spectra arising strictly from the concentration effect can be completely removed from the asynchronous spectra. Thus, two-dimensional (2D) asynchronous spectra can be used as an effective tool to characterize intermolecular interactions that lead to apparent deviations from the Beer Lambert law, even if the characteristic peaks of two compounds are substantially overlapped. A model solution with two solutes is used to investigate the behavior of the 2D asynchronous spectra under different extents of overlap of the characteristic peaks. Simulation results demonstrate that the resulting spectral patterns can reflect subtle spectral variations in bandwidths, peak positions, and absorptivities brought about by intermolecular interaction, which are barely visualized in the conventional one-dimensional (ID) spectra. Intermolecular interactions between butanone and dimethyl formamide (DMF) in CCl4 solutions were investigated using the proposed AOSD approach to prove the applicability of the AOSD method in real chemical systems. |
| 英文摘要 | This paper introduces a new approach to analysis of spectra called asynchronous orthogonal sample design (AOSD). Specifically designed concentration series are selected according to mathematical analysis of orthogonal vectors. Based on the AOSD approach, the interfering portion of the spectra arising strictly from the concentration effect can be completely removed from the asynchronous spectra. Thus, two-dimensional (2D) asynchronous spectra can be used as an effective tool to characterize intermolecular interactions that lead to apparent deviations from the Beer Lambert law, even if the characteristic peaks of two compounds are substantially overlapped. A model solution with two solutes is used to investigate the behavior of the 2D asynchronous spectra under different extents of overlap of the characteristic peaks. Simulation results demonstrate that the resulting spectral patterns can reflect subtle spectral variations in bandwidths, peak positions, and absorptivities brought about by intermolecular interaction, which are barely visualized in the conventional one-dimensional (ID) spectra. Intermolecular interactions between butanone and dimethyl formamide (DMF) in CCl4 solutions were investigated using the proposed AOSD approach to prove the applicability of the AOSD method in real chemical systems. |
| WOS标题词 | Science & Technology ; Technology |
| 类目[WOS] | Instruments & Instrumentation ; Spectroscopy |
| 研究领域[WOS] | Instruments & Instrumentation ; Spectroscopy |
| 关键词[WOS] | EXCITATION WAVELENGTH DEPENDENCE ; SYNCHRONOUS SPECTROSCOPY ; TRIBLOCK COPOLYMER ; FTIR SPECTROSCOPY ; RIBONUCLEASE-A ; AGGREGATION ; COMPONENT ; SURFACES ; SPECTRA ; MODEL |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000293206800010 |
| 公开日期 | 2013-11-28 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/6269]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 1.Hebei Normal Univ, Coll Chem & Mat Sci, Shijiazhuang 050016, Peoples R China 2.Peking Univ, Beijing Natl Lab Mol Sci, State Key Lab Rare Earth Mat Chem & Applicat, Coll Chem & Mol Engn, Beijing 100871, Peoples R China 3.Chinese Acad Sci, Inst Proc Engn, Beijing 100190, Peoples R China 4.Peking Univ, State Key Lab Nucl Phys & Technol, Inst Heavy Ion Phys, Sch Phys, Beijing 100871, Peoples R China 5.Univ Elect Sci & Technol China, Sch Life Sci & Technol, Chengdu 610054, Peoples R China 6.Chinese Acad Sci, Inst Chem, Beijing 100190, Peoples R China 7.Kwansei Gakuin Univ, Sch Sci & Technol, Dept Chem, Sanda 6691337, Japan 8.Procter & Gamble Co, W Chester, OH 45069 USA |
| 推荐引用方式 GB/T 7714 | Li, Xiaopei,Pan, Qinghua,Chen, Jing,et al. Asynchronous Orthogonal Sample Design Scheme for Two-Dimensional Correlation Spectroscopy (2D-COS) and Its Application in Probing Intermolecular Interactions from Overlapping Infrared (IR) Bands[J]. APPLIED SPECTROSCOPY,2011,65(8):901-917. |
| APA | Li, Xiaopei.,Pan, Qinghua.,Chen, Jing.,Liu, Shaoxuan.,He, Anqi.,...&Wu, Jinguang.(2011).Asynchronous Orthogonal Sample Design Scheme for Two-Dimensional Correlation Spectroscopy (2D-COS) and Its Application in Probing Intermolecular Interactions from Overlapping Infrared (IR) Bands.APPLIED SPECTROSCOPY,65(8),901-917. |
| MLA | Li, Xiaopei,et al."Asynchronous Orthogonal Sample Design Scheme for Two-Dimensional Correlation Spectroscopy (2D-COS) and Its Application in Probing Intermolecular Interactions from Overlapping Infrared (IR) Bands".APPLIED SPECTROSCOPY 65.8(2011):901-917. |
入库方式： OAI收割
来源：过程工程研究所
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