Raman detection of solute induced perturbations of solvent shell molecules
Abstract
Raman spectroscopy of aqueous solution is used to decompose spectra into pure water and solute induced components. The resulting solute induced spectra contain both solute and solvent features pertaining to the hydration shell around the solute. A robust multivariate curve resolution method is used to uniquely identify the solvation shell spectra. The spectra obtained contain water features that are distinctly different from those of bulk water, and whose intensity scales with solute concentration. This difference has been demonstrated using aqueous solutions of various nitriles and acetone. An aqueous solution of acetonitrile reveal a hydration shell spectrum with a clearly blue shifted (higher frequency) water OH band, and an intensity which suggests that this spectral feature arises from approximately one water molecule per acetonitrile. Various nitriles and acetone were also solvated in a deuterium oxide solvent to determine if the spectral features could be reproduced at a different frequency.
Degree
M.S.
Advisors
Ben-Amotz, Purdue University.
Subject Area
Analytical chemistry|Physical chemistry
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