Application of Raman Multivariate Curve Resolution to Solvation-Shell Spectroscopy

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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.

Keywords: MCR; Multivariate curve resolution; Raman spectroscopy; Solvation-shell

Document Type: Research Article

DOI: http://dx.doi.org/10.1366/11-06442

Affiliations: Purdue University, Department of Chemistry, West Lafayette, Indiana 47907, USA

Publication date: March 1, 2012

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