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 2011 International Conference on Electrical Insulating Materials, ISEIM 2011
PublisherInstitute of Electrical Engineers of Japan
Pages253-256
Number of pages4
ISBN (Print)9784886860743
Publication statusPublished - 2011 Jan 1
Event2011 International Conference on Electrical Insulating Materials, ISEIM 2011 - Kyoto, Japan
Duration: 2011 Sep 62011 Sep 11

Publication series

NameProceedings of the International Symposium on Electrical Insulating Materials

Conference

Conference2011 International Conference on Electrical Insulating Materials, ISEIM 2011
CountryJapan
CityKyoto
Period11/9/611/9/11

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

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  • 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 2011 International Conference on Electrical Insulating Materials, ISEIM 2011 (pp. 253-256). [6826280] (Proceedings of the International Symposium on Electrical Insulating Materials). Institute of Electrical Engineers of Japan.