Vibrational spectroscopies, including infrared and Raman techniques, are important tools for the characterization of chemical composition, molecular structures, and chain orientation under mechanical deformation of polymeric materials. The development of fiber-optic-based spectrometers has broadened the use of vibrational spectroscopy for process monitoring in various fields including polymerization, curing, and manufacturing processes. Combined with chemometrics, near-infrared (NIR) spectroscopy is now recognized as one of the most important techniques for polymer analyses. Infrared and Raman studies also offer invaluable means for the analysis of inorganic particles used as reinforcing fillers for polymers. The characterization of surface species and the nature of interfacial bonding between the organic and inorganic phases are important issues for the understanding of composite properties. Infrared spectroscopy is particularly convenient for the detection and analysis of hydroxyl groups on filler surfaces, and Raman spectroscopy is particularly well suited for the study of carbon-based materials. In both techniques, polymer-filler interactions can be evidenced through frequency shifts or width changes of bands associated with vibrational modes of functional groups of either macromolecular chains or filler particles. Selected examples of application of infrared and Raman spectroscopies illustrate their potential for monitoring polymer processes, measuring polymer orientation, and characterizing polymer composites.
BIOMOLECULAR STRUCTURE OF TROPINE DETERMINED FROM QUANTUM CHEMISTRY SIMULATIONS OF VIBRATIONAL SPECTROSCOPY
