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

R. Geitner; Julia Kötteritzsch; Michael Siegmann; Thomas W. Bocklitz; Martin D. Hager; Ulrich S. Schubert; Stefanie Gräfe; Benjamin Dietzek; M. Schmitt; Jürgen Popp

doi:10.1039/c5cp02151k

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

R. Geitner, Julia Kötteritzsch, Michael Siegmann, Thomas W. Bocklitz, Martin D. Hager, Ulrich S. Schubert, Stefanie Gräfe, Benjamin Dietzek, M. Schmitt, Jürgen Popp

Research output: Contribution to journal › Article › Academic › peer-review

Abstract

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=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.

Original language	English
Pages (from-to)	22587-22595
Number of pages	9
Journal	Physical Chemistry Chemical Physics
Volume	17
Issue number	35
DOIs	https://doi.org/10.1039/c5cp02151k
Publication status	Published - 1 Jun 2015
Externally published	Yes

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Geitner, R., Kötteritzsch, J., Siegmann, M., Bocklitz, T. W., Hager, M. D., Schubert, U. S., Gräfe, S., Dietzek, B., Schmitt, M., & Popp, J. (2015). Two-dimensional Raman correlation spectroscopy reveals molecular structural changes during temperature-induced self-healing in polymers based on the Diels-Alder reaction. Physical Chemistry Chemical Physics, 17(35), 22587-22595. https://doi.org/10.1039/c5cp02151k

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

abstract = "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=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.",

author = "R. Geitner and Julia K{\"o}tteritzsch and Michael Siegmann and Bocklitz, {Thomas W.} and Hager, {Martin D.} and Schubert, {Ulrich S.} and Stefanie Gr{\"a}fe and Benjamin Dietzek and M. Schmitt and J{\"u}rgen Popp",

year = "2015",

month = jun,

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doi = "10.1039/c5cp02151k",

language = "English",

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Geitner, R, Kötteritzsch, J, Siegmann, M, Bocklitz, TW, Hager, MD, Schubert, US, Gräfe, S, Dietzek, B, Schmitt, M & Popp, J 2015, 'Two-dimensional Raman correlation spectroscopy reveals molecular structural changes during temperature-induced self-healing in polymers based on the Diels-Alder reaction', Physical Chemistry Chemical Physics, vol. 17, no. 35, pp. 22587-22595. https://doi.org/10.1039/c5cp02151k

Two-dimensional Raman correlation spectroscopy reveals molecular structural changes during temperature-induced self-healing in polymers based on the Diels-Alder reaction. / Geitner, R.; Kötteritzsch, Julia; Siegmann, Michael et al.
In: Physical Chemistry Chemical Physics, Vol. 17, No. 35, 01.06.2015, p. 22587-22595.

Research output: Contribution to journal › Article › Academic › peer-review

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T1 - Two-dimensional Raman correlation spectroscopy reveals molecular structural changes during temperature-induced self-healing in polymers based on the Diels-Alder reaction

AU - Geitner, R.

AU - Kötteritzsch, Julia

AU - Siegmann, Michael

AU - Bocklitz, Thomas W.

AU - Hager, Martin D.

AU - Schubert, Ulrich S.

AU - Gräfe, Stefanie

AU - Dietzek, Benjamin

AU - Schmitt, M.

AU - Popp, Jürgen

PY - 2015/6/1

Y1 - 2015/6/1

N2 - 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=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.

AB - 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=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.

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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

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