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


Sort:  Journal  |  Reset

References

References are not available for this paper.

Cited By

OSA is able to provide readers links to articles that cite this paper by participating in CrossRef's Cited-By Linking service. CrossRef includes content from more than 3000 publishers and societies. In addition to listing OSA journal articles that cite this paper, citing articles from other participating publishers will also be listed.

« Previous Article  |  Next Article »

OSA is a member of CrossRef.

CrossCheck Deposited