Application of Raman Multivariate Curve Resolution to Solvation-Shell Spectroscopy
Abstract:Raman spectroscopy and multivariate curve resolution (Raman-MCR) are combined to yield a powerful spectroscopic method for identifying solute-induced perturbations of solvent molecules. The principles and applications of the resulting solvation-shell spectroscopy are described and illustrated using both numerical model spectra and experimental Raman spectra, including water in acetone and aqueous OH−, as well as of both neutral and ionic acetic acid solutions. The results illustrate the quantitative capabilities of Raman-MCR as a solvation-shell spectroscopy, including fundamental limitations arising from “intensity” and “rotational” ambiguities.
Document Type: Research Article
Affiliations: Purdue University, Department of Chemistry, West Lafayette, Indiana 47907, USA
Publication date: March 1, 2012
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