OSA's Digital Library

Applied Spectroscopy

Applied Spectroscopy

| PUBLISHED BY SAS — AVAILABLE FROM SAS AND OSA

  • Vol. 42, Iss. 2 — Feb. 1, 1988
  • pp: 353–359

Multicomponent Analysis Using Fourier Transform Infrared and UV Spectra

Steven M. Donahue, Chris W. Brown, and Robert J. Obremski

Applied Spectroscopy, Vol. 42, Issue 2, pp. 353-359 (1988)


View Full Text Article

Acrobat PDF (716 KB)





Browse Journals / Lookup Meetings

Browse by Journal and Year


   


Lookup Conference Papers

Close Browse Journals / Lookup Meetings

Article Tools

Share
Citations
  • Export Citation/Save Click for help

Abstract

Two- and three-component mixtures of methylated benzenes were analyzed with the use of both infrared and UV spectra. The spectra of known mixtures were Fourier transformed and coefficients from the transforms selected to form coordinates of vectors. The resulting vectors were subjected to factor analysis to obtain representations for multicomponent analysis. A total of eight data sets were analyzed by factor analysis after preprocessing by taking the Fourier transforms of the spectra. The eight data sets were also analyzed by the P-matrix method (inverse Beer's law) in the spectral domain after preprocessing of the data to allow selection of the optimum analytical wavenumbers. This spectral method was compared to the Fourier transform method using cross-validation, in which one sample at a time was left out of the standards and treated as an unknown. The Standard Error of Prediction (SEP) was calculated for the two methods for all possible numbers of vectors and numbers of wavenumbers, starting with the number equal to the number of components and increasing up to a total number of standards or some reasonable cut-off value. Processing in the Fourier domain clearly produced the best results for seven of the data sets and equal results for the other set.

Citation
Steven M. Donahue, Chris W. Brown, and Robert J. Obremski, "Multicomponent Analysis Using Fourier Transform Infrared and UV Spectra," Appl. Spectrosc. 42, 353-359 (1988)
http://www.opticsinfobase.org/as/abstract.cfm?URI=as-42-2-353

You do not have subscription access to this journal. Citation lists with outbound citation links are available to subscribers only. You may subscribe either as an OSA member, or as an authorized user of your institution.

Contact your librarian or system administrator
or
Log in to access OSA Member Subscription

You do not have subscription access to this journal. Cited by links are available to subscribers only. You may subscribe either as an OSA member, or as an authorized user of your institution.

Contact your librarian or system administrator
or
Log in to access OSA Member Subscription

« Previous Article  |  Next Article »

OSA is a member of CrossRef.

CrossCheck Deposited