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Water-Mediated Interactions Through the Lens of Raman Multivariate Curve Resolution

Raman multivariate curve resolution (Raman-MCR) spectroscopy is used to study water-mediated interactions by decomposing Raman spectra of aqueous solutions into bulk water and solute-correlated (SC) spectral components. The SC spectra are minimum-area difference spectra that reveal solute-induced perturbations of water structure, including changes in water hydrogen-bonding strength, tetrahedral structure, and formation of dangling (non-hydrogen-bonded) OH defects in a solute's hydration shell. Additionally, Raman-active intramolecular vibrational modes of the solute may be used to uncover complementary information regarding solute--solute interactions. Herein, Raman-MCR is applied to address fundamental questions related to: (1) confined cavity water and its connection to host-guest binding, (2) hydrophobic hydration of fluorinated solutes, (3) specific ion effects on nonionic micelle formation, and (4) ion pairing in aqueous solutions.

  1. 10.25394/pgs.14494908.v1
Identiferoai:union.ndltd.org:purdue.edu/oai:figshare.com:article/14494908
Date06 May 2021
CreatorsDenilson Mendes de Oliveira (10708623)
Source SetsPurdue University
Detected LanguageEnglish
TypeText, Thesis
RightsCC BY 4.0
Relationhttps://figshare.com/articles/thesis/Water-Mediated_Interactions_Through_the_Lens_of_Raman_Multivariate_Curve_Resolution/14494908

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