Sample-sample and wavenumber-wavenumber two-dimensional correlation analyses of attenuated total reflection infrared spectra of polycondensation reaction of bis(hydroxyethylterephthalate)
S. Sasic et al., Sample-sample and wavenumber-wavenumber two-dimensional correlation analyses of attenuated total reflection infrared spectra of polycondensation reaction of bis(hydroxyethylterephthalate), ANALYT CHEM, 73(21), 2001, pp. 5184-5190
Polycondensation reaction of bis(hydroxyethylterephthalate) was monitored i
n situ by attenuated total reflection (ATR)/infrared (IR) spectroscopy. The
obtained spectra are analyzed by means of generalized two-dimensional (2D)
sample-sample and wavenumber-wavenumber correlation spectroscopies. The sa
mple-sample correlation analysis reveals the correlations among the concent
ration features of the components, and the wavenumber-wavenumber correlatio
n analysis elucidates the relations among the spectral features. Before the
experimental data are analyzed by the 2D correlation spectroscopies, a syn
thetic two-component spectral model composed of the first and the last expe
rimental spectra, is examined. The results of an analysis of the real data
are related to those obtained from the synthetic data. It is found that the
sample-sample correlation analysis of the IR data of polycondensation expl
ains the concentration variance in the system and classifies two groups of
the samples. The wavenumber-wavenumber correlations are derived upon the re
sults of the sample-sample correlations and explained in terms of the spect
ral variations of three components. The convolute patterns in both types of
correlations are attributed to the weak presence of ethylene glycol.