ICCAS OpenIR
Asynchronous Orthogonal Sample Design Scheme for Two-Dimensional Correlation Spectroscopy (2D-COS) and Its Application in Probing Intermolecular Interactions from Overlapping Infrared (IR) Bands
Li, Xiaopei1,2; Pan, Qinghua; Chen, Jing2; Liu, Shaoxuan2; He, Anqi2; Liu, Cuige1; Wei, Yongju1; Huang, Kun3; Yang, Limin4; Feng, Juan5; Zhao, Ying6; Xu, Yizhuang2; Ozaki, Yukihiro7; Noda, Isao8; Wu, Jinguang2
2011-08-01
Source PublicationAPPLIED SPECTROSCOPY
ISSN0003-7028
Volume65Issue:8Pages:901-917
AbstractThis 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.
KeywordTwo-dimensional Correlation Spectroscopy 2d-cos Intermolecular Interaction Asynchronous Orthogonal Sample Design Aosd Orthogonality
DOI10.1366/11-06250
Indexed BySCI
Language英语
WOS IDWOS:000293206800010
PublisherSOC APPLIED SPECTROSCOPY
Citation statistics
Cited Times:34[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/72252
Collection中国科学院化学研究所
Corresponding AuthorWei, Yongju
Affiliation1.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
Recommended Citation
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.
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