title: 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.
authors.affiliation: Purdue University, Department of Chemistry, West Lafayette, Indiana 47907, USA.
authors.forename: Kathryn Rebecca
authors.initials: KR
authors.lastname: Fega
authors.forename: David Scott
authors.initials: DS
authors.lastname: Wilcox
authors.forename: Dor
authors.initials: D
authors.lastname: Ben-Amotz