Practical aspects of principle component analysis applied to the FTIR spectroscopy of electrolyte solutions

ANYL 267

Thomas G. Smagala, tgsmagala@ucdavis.edu, Dmytro M. Verbovy, and W. Ronald Fawcett, wrfawcett@ucdavis.edu. Department of Chemistry, University of California, Davis, CA 95616
FTIR spectroscopy has been used to study ion solvation in electrolyte solutions. A detailed procedure was outlined to isolate the ion-solvent interactions from the features of the pure solvent. Principal component analysis was used to decompose the matrix of absorption spectra into its significant score and loading vectors. These score vectors were subsequently converted to component spectra by means of a transformation matrix. The procedure was found to be effective in characterizing the behavior of dissolved electrolytes in polar aprotic solvents.
 

Analytical Approaches, Spectroscopy
8:30 AM-12:00 PM, Wednesday, 13 September 2006 Moscone Center -- Room 124, Oral

Division of Analytical Chemistry

The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006