2DCOS and PCMW2D analysis of FT-IR/ATR spectra measured at variable temperatures on-line to a polyurethane polymerization

Patrick Schuchardt; Miriam Unger; Heinz W Siesler

doi:10.1016/j.saa.2017.07.044

2DCOS and PCMW2D analysis of FT-IR/ATR spectra measured at variable temperatures on-line to a polyurethane polymerization

Spectrochim Acta A Mol Biomol Spectrosc. 2018 Jan 5:188:478-482. doi: 10.1016/j.saa.2017.07.044. Epub 2017 Jul 23.

Authors

Patrick Schuchardt¹, Miriam Unger², Heinz W Siesler³

Affiliations

¹ Department of Physical Chemistry, University of Duisburg-Essen, Essen, Germany.
² Anasys Instruments, 325 Chapala Street, Santa Barbara, CA, USA.
³ Department of Physical Chemistry, University of Duisburg-Essen, Essen, Germany. Electronic address: hw.siesler@uni-due.de.

PMID: 28759848
DOI: 10.1016/j.saa.2017.07.044

Abstract

In the present communication the potential of 2DCOS analysis and the spin-off technique perturbation-correlation moving window 2D (PCMW2D) analysis is illustrated with reference to spectroscopic changes observed in a data set recorded by in-line fiber-coupled FT-IR spectroscopy in the attenuated total reflection (ATR) mode during a polyurethane solution polymerization at different temperatures. In view of the chemical functionalities involved, hydrogen bonding plays an important role in this polymerization reaction. Based on the 2DCOS and PCMW2D analysis, the sequence of hydrogen bonding changes accompanying the progress of polymerization and precipitation of solid polymer can be determined. Complementary to the kinetic data derived from the original variable-temperature spectra in a previous publication the results provide a more detailed picture of the investigated solution polymerization.

Keywords: 2DCOS and PCMW2D analyses; In-line fiber-coupled FT-IR/ATR spectroscopy; Polyurethane solution polymerization.