The following is an abstract for the selected article. A PDF download of the full text of this article is available here. Members may download full texts at no charge. Non-members may be charged a small fee for certain articles.
Factor Analysis and Least-Squares Curve-Fitting of Infrared Spectra: An Application to the Study of Phase Transitions in Organic Molecules
Volume 38, Number 6 (Dec. 1984) Page 795-803
Rao, G. Ramana; Zerbi, G.
The significance of eigenvectors and eigenspectra used in factor analysis, the relation of least-squares coefficients to the concentration of individual components, and the role of difference spectrum in the least-squares method have been examined theoretically. The equivalence of factor analysis and least-squares curve-fitting has been established. Factor analysis and least-squares curve-fitting have been attempted on the Fourier transform infrared spectra of nonadecane, nonadecane-d2, nonadecane-d2 melt, and C24H49COOH, obtained as a function of temperature, Experimental results have been used to substantiate theoretical conclusions.