ICCAS OpenIR
Double Orthogonal Sample Design Scheme and Corresponding Basic Patterns in Two-Dimensional Correlation Spectra for Probing Subtle Spectral Variations Caused by Intermolecular Interactions
Zhang, Chengfeng1,2,3; Huang, Kun1; Li, Huizhen1,4; Chen, Jing1; Liu, Shaoxuan1; Zhao, Ying2; Wang, Dujin2; Xu, Yizhuang1; Wu, Jinguang1; Noda, Isao5; Ozaki, Yukihiro6
2009-11-05
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY A
ISSN1089-5639
Volume113Issue:44Pages:12142-12156
AbstractThis paper introduces a new approach named double orthogonal sample design scheme (DOSD) to probe Intermolecular interactions based on a framework of two-dimensional (2D) correlated spectroscopy. fit this approach, specifically designed concentration series are selected according to the mathematical analysis on orthogonal vectors to generate useful 2D correlated spectra. As a result, the interfering portion can be completely removed front both synchronous and asynchronous spectra, and complementary information concerning intermolecular interactions call be obtained from the set of 2D spectra. A model system, where intermolecular interactions Occur between two solutes in a solution, is used to investigate the behavior of 2D cot-related spectra generated by using the DOSD approach. Simulation results demonstrate that the resultant spectral patterns can reflect subtle spectral variation in bandwidths, peak positions, and absorptivities brought about by intermolecular interaction, which are hardly visualized in conventional 1D spectra because of the severe band-overlapping problem The ability to reveal a subtle variation in a characteristic peak in detail by using the DOSD approach provides a new opportunity to understand the nature of intermolecular interactions from a molecular structural point of view. Intermolecular interactions between iodine and benzene in CCl(4) Solutions were investigated by using the proposed DOSD approach to prove the applicability of the DOSD method in real chemical systems.
DOI10.1021/jp9005185
Indexed BySCI
Language英语
WOS IDWOS:000271105800013
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:30[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/66240
Collection中国科学院化学研究所
Corresponding AuthorXu, Yizhuang
Affiliation1.Peking Univ, Beijing Natl Lab Mol Sci, Coll Chem & Mol Engn, Beijing 100871, Peoples R China
2.Chinese Acad Sci, Beijing Natl Lab Mol Sci, CAS Key Lab Engn Plast, Joint Lab Polymer Sci & Mat,Inst Chem, Beijing 100190, Peoples R China
3.Chinese Acad Sci, Grad Sch, Beijing 100190, Peoples R China
4.Henan Normal Univ, Coll Chem & Environm Sci, Xinxiang 453007, Peoples R China
5.Procter & Gamble Co, W Chester, OH 45069 USA
6.Kwansei Gakuin Univ, Dept Chem, Sch Sci & Technol, Sanda 6691337, Japan
Recommended Citation
GB/T 7714
Zhang, Chengfeng,Huang, Kun,Li, Huizhen,et al. Double Orthogonal Sample Design Scheme and Corresponding Basic Patterns in Two-Dimensional Correlation Spectra for Probing Subtle Spectral Variations Caused by Intermolecular Interactions[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2009,113(44):12142-12156.
APA Zhang, Chengfeng.,Huang, Kun.,Li, Huizhen.,Chen, Jing.,Liu, Shaoxuan.,...&Ozaki, Yukihiro.(2009).Double Orthogonal Sample Design Scheme and Corresponding Basic Patterns in Two-Dimensional Correlation Spectra for Probing Subtle Spectral Variations Caused by Intermolecular Interactions.JOURNAL OF PHYSICAL CHEMISTRY A,113(44),12142-12156.
MLA Zhang, Chengfeng,et al."Double Orthogonal Sample Design Scheme and Corresponding Basic Patterns in Two-Dimensional Correlation Spectra for Probing Subtle Spectral Variations Caused by Intermolecular Interactions".JOURNAL OF PHYSICAL CHEMISTRY A 113.44(2009):12142-12156.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Zhang, Chengfeng]'s Articles
[Huang, Kun]'s Articles
[Li, Huizhen]'s Articles
Baidu academic
Similar articles in Baidu academic
[Zhang, Chengfeng]'s Articles
[Huang, Kun]'s Articles
[Li, Huizhen]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Zhang, Chengfeng]'s Articles
[Huang, Kun]'s Articles
[Li, Huizhen]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.