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Double orthogonal sample design scheme and corresponding basic patterns in two-dimensional correlation spectra for probing subtle spectral variations caused by intermolecular interactions

文献类型：期刊论文

作者Zhang, Chengfeng1,2,3; Huang, Kun1; Li, Huizhen1,4; Chen, Jing1; Liu, Shaoxuan1; Zhao, Ying2; Wang, Dujin2; Xu, Yizhuang1; Wu, Jinguang1; Noda, Isao5
刊名Journal of physical chemistry a
出版日期2009-11-05
卷号113期号:44页码:12142-12156
ISSN号1089-5639
DOI10.1021/jp9005185
通讯作者Xu, yizhuang()
英文摘要This 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.
WOS关键词INFRARED CORRELATION SPECTROSCOPY ; EXCITATION WAVELENGTH DEPENDENCE ; RAMAN CORRELATION SPECTROSCOPY ; SECONDARY STRUCTURE ; BETA-LACTOGLOBULIN ; TRIBLOCK COPOLYMER ; IR SPECTROSCOPY ; COMPLEX ; PERTURBATION ; DYNAMICS
WOS研究方向Chemistry ; Physics
WOS类目Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
语种英语
WOS记录号WOS:000271105800013
出版者AMER CHEMICAL SOC
URI标识http://www.irgrid.ac.cn/handle/1471x/2395302
专题中国科学院大学
通讯作者Xu, Yizhuang
作者单位1.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
推荐引用方式
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.

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