Two-dimensional Raman correlation spectroscopy reveals molecular structural changes during temperature-induced self-healing in polymers based on the Diels-Alder reactionElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp02151k

• Main Authors: Geitner, R, Kötteritzsch, J, Siegmann, M, Bocklitz, T. W, Hager, M. D, Schubert, U. S, Gräfe, S, Dietzek, B, Schmitt, M, Popp, J
• Format: Article
• Language: English
• ISSN: 1463-9076; 1463-9084
• DOI: 10.1039/c5cp02151k

The thermally healable polymer P(LMA- co -FMA- co -MIMA) has been studied by temperature-dependent FT-Raman spectroscopy, two-dimensional Raman correlation analysis and density functional theory (DFT) calculations. To the best of our knowledge this study reports for the first time on the investigation of a self-healing polymer by means of two-dimensional correlation techniques. The synchronous correlation spectrum reveals that the spectrally overlapping C&z.dbd;C stretching vibrations at 1501, 1575, 1585 and 1600 cm −1 are perfect marker bands to monitor the healing process which is based on a Diels-Alder reaction of furan and maleimide. The comparison between experimental and calculated Raman spectra as well as their correlation spectra showed a good agreement between experiment and theory. The data presented within this study nicely demonstrate that Raman correlation analysis combined with a band assignment based on DFT calculations presents a powerful tool to study the healing process of self-healing polymers. For the first time two-dimensional Raman correlation analysis has been used to study self-healing polymers based on the Diels-Alder reaction.