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Two-dimensional Raman correlation spectroscopy reveals molecular structural changes during temperature-induced self-healing in polymers based on the Diels-Alder reaction

Title data

Geitner, R. ; Kötteritzsch, J. ; Siegmann, M. ; Bocklitz, Thomas ; Hager, M. D. ; Schubert, U. S. ; Gräfe, S. ; Dietzek, B. ; Schmitt, M. ; Popp, J.:
Two-dimensional Raman correlation spectroscopy reveals molecular structural changes during temperature-induced self-healing in polymers based on the Diels-Alder reaction.
In: Physical Chemistry Chemical Physics. Vol. 17 (2015) Issue 35 . - pp. 22587-22595.
ISSN 1463-9084
DOI: https://doi.org/10.1039/C5CP02151K

Abstract in another language

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[double bond, length as m-dash]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.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Computer Science > Lehrstuhl Künstliche Intelligenz in der Mikroskopie und Spektroskopie > Lehrstuhl Künstliche Intelligenz in der Mikroskopie und Spektroskopie - Univ.-Prof. Dr. Thomas Wilhelm Bocklitz
Result of work at the UBT: No
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 17 May 2023 13:45
Last Modified: 17 May 2023 13:45
URI: https://eref.uni-bayreuth.de/id/eprint/76308