Orthogonal sample design scheme for two-dimensional synchronous spectroscopy and its application in probing intermolecular interactions.

Orthogonal sample design scheme for two-dimensional synchronous spectroscopy and its application in probing intermolecular interactions. Research Abstract Details 

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Orthogonal sample design scheme for two-dimensional synchronous spectroscopy and its application in probing intermolecular interactions. Abstract Text:

Jian Qi,Huizhen Li,Kun Huang,Huhe Chen,Shaoxuan Liu,Limin Yang,Ying Zhao,Chengfeng Zhang,Weihong Li,Jinguang Wu,Duanfu Xu,Yizhuang Xu,Isao Noda,Jian Qi,Huizhen Li,Kun Huang,Huhe Chen,Shaoxuan Liu,Limin Yang,Ying Zhao,Chengfeng Zhang,Weihong Li,Jinguang Wu,Duanfu Xu,Yizhuang Xu,Isao Noda,Jian Qi,Huizhen Li,Kun Huang,Huhe Chen,Shaoxuan Liu,Limin Yang,Ying Zhao,Chengfeng Zhang,Weihong Li,Jinguang Wu,Duanfu Xu,Yizhuang Xu,Isao Noda,Jian Qi,Huizhen Li,Kun Huang,Huhe Chen,Shaoxuan Liu,Limin Yang,Ying Zhao,Chengfeng Zhang,Weihong Li,Jinguang Wu,Duanfu Xu,Yizhuang Xu,Isao Noda,

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.

Orthogonal sample design scheme for two-dimensional synchronous spectroscopy and its application in probing intermolecular interactions. Publishing Authors By Initials

J Qi,H Li,K Huang,H Chen,S Liu,L Yang,Y Zhao,C Zhang,W Li,J Wu,D Xu,Y Xu,I Noda,J Qi,H Li,K Huang,H Chen,S Liu,L Yang,Y Zhao,C Zhang,W Li,J Wu,D Xu,Y Xu,I Noda,J Qi,H Li,K Huang,H Chen,S Liu,L Yang,Y Zhao,C Zhang,W Li,J Wu,D Xu,Y Xu,I Noda,J Qi,H Li,K Huang,H Chen,S Liu,L Yang,Y Zhao,C Zhang,W Li,J Wu,D Xu,Y Xu,I Noda,

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Orthogonal sample design scheme for two-dimensional synchronous spectroscopy and its application in probing intermolecular interactions. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: Applied spectroscopy

VOLUME: 61

Page Numbers: 1359-65

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ISSN: 0003-7028

DAY: 16

MONTH: Dec

YEAR: 2007

Orthogonal sample design scheme for two-dimensional synchronous spectroscopy and its application in probing intermolecular interactions. Information

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LANGUAGE: eng

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Grant and Affiliation Information for Orthogonal sample design scheme for two-dimensional synchronous spectroscopy and its application in probing intermolecular interactions.

AFFILIATION: College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China.

Country: United States

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MEDLINETA: Appl Spectrosc

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