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Application of Raman Multivariate Curve Resolution to Solvation-Shell Spectroscopy
Volume 66, Number 3 (March 2011) Page 282-288
KATHRYN REBECCA FEGA, DAVID SCOTT WILCOX, and DOR BEN-AMOTZ*
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.
Index Headings: Solvation-shell; Multivariate curve resolution; MCR; Raman spectroscopy.