Experimental and numerical analyses of molecular vibrations in poly-ε-caprolactone at terahertz frequencies

Marina Komatsu, Ryo Sato, Yoshimichi Ohki, Maya Mizuno, Kaori Fukunaga, Shingo Saito

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

    1 Citation (Scopus)

    Abstract

    We observed absorption spectra of poly-ε-caprolactone in a frequency range from 0.3 to 3.6 THz at temperatures from 10 to 300 K by terahertz time-domain spectroscopy and analyzed the spectra using density functional theory calculations based on the B3LYP functional. In the absorption measurements, the electric field direction of the THz wave was set in either parallel or perpendicular to the stretched direction of the sample. The spectra observed at 10 K differ significantly between the parallel and perpendicular THz waves, while such a difference is hardly seen at 300 K. The numerically analyzed results agree to some extent with the spectra. It is shown by the analysis of the vector components of the molecular vibrations obtained numerically that all the spectra observed in the THz region are assumed to be due to skeleton vibrations with vibrational period of either one or two monomer units.

    Original languageEnglish
    Title of host publicationProceedings of the International Symposium on Electrical Insulating Materials
    PublisherInstitute of Electrical Engineers of Japan
    Pages253-256
    Number of pages4
    ISBN (Print)9784886860743
    Publication statusPublished - 2011
    Event2011 International Conference on Electrical Insulating Materials, ISEIM 2011 - Kyoto
    Duration: 2011 Sep 62011 Sep 11

    Other

    Other2011 International Conference on Electrical Insulating Materials, ISEIM 2011
    CityKyoto
    Period11/9/611/9/11

    Fingerprint

    Molecular vibrations
    Density functional theory
    Absorption spectra
    Monomers
    Electric fields
    Spectroscopy
    Temperature
    polycaprolactone
    Direction compound

    Keywords

    • Biodegradable polymer
    • Density functional theory
    • Molecular structure
    • Molecular vibration
    • Terahertz time-domain spectroscopy

    ASJC Scopus subject areas

    • Electrical and Electronic Engineering
    • Electronic, Optical and Magnetic Materials

    Cite this

    Komatsu, M., Sato, R., Ohki, Y., Mizuno, M., Fukunaga, K., & Saito, S. (2011). Experimental and numerical analyses of molecular vibrations in poly-ε-caprolactone at terahertz frequencies. In Proceedings of the International Symposium on Electrical Insulating Materials (pp. 253-256). [6826280] Institute of Electrical Engineers of Japan.

    Experimental and numerical analyses of molecular vibrations in poly-ε-caprolactone at terahertz frequencies. / Komatsu, Marina; Sato, Ryo; Ohki, Yoshimichi; Mizuno, Maya; Fukunaga, Kaori; Saito, Shingo.

    Proceedings of the International Symposium on Electrical Insulating Materials. Institute of Electrical Engineers of Japan, 2011. p. 253-256 6826280.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

    Komatsu, M, Sato, R, Ohki, Y, Mizuno, M, Fukunaga, K & Saito, S 2011, Experimental and numerical analyses of molecular vibrations in poly-ε-caprolactone at terahertz frequencies. in Proceedings of the International Symposium on Electrical Insulating Materials., 6826280, Institute of Electrical Engineers of Japan, pp. 253-256, 2011 International Conference on Electrical Insulating Materials, ISEIM 2011, Kyoto, 11/9/6.
    Komatsu M, Sato R, Ohki Y, Mizuno M, Fukunaga K, Saito S. Experimental and numerical analyses of molecular vibrations in poly-ε-caprolactone at terahertz frequencies. In Proceedings of the International Symposium on Electrical Insulating Materials. Institute of Electrical Engineers of Japan. 2011. p. 253-256. 6826280
    Komatsu, Marina ; Sato, Ryo ; Ohki, Yoshimichi ; Mizuno, Maya ; Fukunaga, Kaori ; Saito, Shingo. / Experimental and numerical analyses of molecular vibrations in poly-ε-caprolactone at terahertz frequencies. Proceedings of the International Symposium on Electrical Insulating Materials. Institute of Electrical Engineers of Japan, 2011. pp. 253-256
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    abstract = "We observed absorption spectra of poly-ε-caprolactone in a frequency range from 0.3 to 3.6 THz at temperatures from 10 to 300 K by terahertz time-domain spectroscopy and analyzed the spectra using density functional theory calculations based on the B3LYP functional. In the absorption measurements, the electric field direction of the THz wave was set in either parallel or perpendicular to the stretched direction of the sample. The spectra observed at 10 K differ significantly between the parallel and perpendicular THz waves, while such a difference is hardly seen at 300 K. The numerically analyzed results agree to some extent with the spectra. It is shown by the analysis of the vector components of the molecular vibrations obtained numerically that all the spectra observed in the THz region are assumed to be due to skeleton vibrations with vibrational period of either one or two monomer units.",
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    AU - Komatsu, Marina

    AU - Sato, Ryo

    AU - Ohki, Yoshimichi

    AU - Mizuno, Maya

    AU - Fukunaga, Kaori

    AU - Saito, Shingo

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    AB - We observed absorption spectra of poly-ε-caprolactone in a frequency range from 0.3 to 3.6 THz at temperatures from 10 to 300 K by terahertz time-domain spectroscopy and analyzed the spectra using density functional theory calculations based on the B3LYP functional. In the absorption measurements, the electric field direction of the THz wave was set in either parallel or perpendicular to the stretched direction of the sample. The spectra observed at 10 K differ significantly between the parallel and perpendicular THz waves, while such a difference is hardly seen at 300 K. The numerically analyzed results agree to some extent with the spectra. It is shown by the analysis of the vector components of the molecular vibrations obtained numerically that all the spectra observed in the THz region are assumed to be due to skeleton vibrations with vibrational period of either one or two monomer units.

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    KW - Molecular vibration

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