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

Applied Spectroscopy
Jian QiIsao Noda

Abstract

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 ...Continue Reading

References

Feb 7, 2002·Journal of the American Chemical Society·Charles D Eads, Isao Noda
Nov 21, 2002·Journal of the American Chemical Society·Tapas K MalLewis E Kay
Nov 20, 2003·Journal of the American Chemical Society·Lisong MaoXiche Hu
Mar 18, 2004·Journal of the American Chemical Society·Moshe Nakash, Michael Goldvaser
Dec 24, 2004·Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology·Noboru KitamuraShoji Ishizaka
Sep 17, 2005·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Jose M AlíaBreda M Kiernan
Apr 15, 2006·Applied Spectroscopy·Shigeaki MoritaYukihiro Ozaki
Jul 1, 2006·Applied Spectroscopy·Yuqing Wu, Isao Noda
Jul 27, 2006·The Journal of Physical Chemistry. a·Matthew G K ThompsonJ Mark Parnis
Oct 6, 2006·The Journal of Physical Chemistry. B·Soohwan SulNien-Hui Ge

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Citations

Apr 18, 2017·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Jin ZhangJinguang Wu
Jan 19, 2021·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·An-Qi HeYukihiro Ozaki
Oct 13, 2012·The Journal of Physical Chemistry. a·Jing ChenJinguang Wu

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