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Issue 40, 2016
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Raman excess spectroscopy vs. principal component analysis: probing the intermolecular interactions between chiral molecules and imidazolium-based ionic liquids

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Abstract

Raman spectroscopy is a very sensitive and specific measurement tool for probing intermolecular interaction structures. As imidazolium-based ionic liquids can favorably be used for enantioseparation, in this work two approaches for Raman signal analysis, namely by means of excess spectra and principal component analysis (PCA), are compared to extract detailed information about the interaction structure of the enantiomers D- and L-glucose in an aqueous solution of the ionic liquid [EMIM][EtSO4]. In contrast to the excess calculations, the loadings obtained from PCA lead to significant results since the interactions are weighted by their strength and significance. Moreover, the analysis of the weighted vibrations in the loadings indicate that hydrogen bonds are particularly formed between the ethyl sulphate anion of [EMIM][EtSO4] and the hydrogen atom of the OH-group at the C6-atom of glucose.

Graphical abstract: Raman excess spectroscopy vs. principal component analysis: probing the intermolecular interactions between chiral molecules and imidazolium-based ionic liquids

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Publication details

The article was received on 22 Jun 2016, accepted on 19 Sep 2016 and first published on 20 Sep 2016


Article type: Paper
DOI: 10.1039/C6CP04372K
Citation: Phys. Chem. Chem. Phys., 2016,18, 28370-28375
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    Raman excess spectroscopy vs. principal component analysis: probing the intermolecular interactions between chiral molecules and imidazolium-based ionic liquids

    H. Koch, K. Noack and S. Will, Phys. Chem. Chem. Phys., 2016, 18, 28370
    DOI: 10.1039/C6CP04372K

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