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

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

School of Advanced Science and Engineering

Research output: Chapter in Book/Report/Conference proceeding › Conference 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 language	English
Title of host publication	Proceedings of 2011 International Conference on Electrical Insulating Materials, ISEIM 2011
Publisher	Institute of Electrical Engineers of Japan
Pages	253-256
Number of pages	4
ISBN (Print)	9784886860743
Publication status	Published - 2011 Jan 1
Event	2011 International Conference on Electrical Insulating Materials, ISEIM 2011 - Kyoto, Japan Duration: 2011 Sept 6 → 2011 Sept 11

Publication series

Name	Proceedings of the International Symposium on Electrical Insulating Materials

Conference

Conference	2011 International Conference on Electrical Insulating Materials, ISEIM 2011
Country/Territory	Japan
City	Kyoto
Period	11/9/6 → 11/9/11

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

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). Article 6826280 (Proceedings of the International Symposium on Electrical Insulating Materials). 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 et al.
Proceedings of 2011 International Conference on Electrical Insulating Materials, ISEIM 2011. Institute of Electrical Engineers of Japan, 2011. p. 253-256 6826280 (Proceedings of the International Symposium on Electrical Insulating Materials).

Research output: Chapter in Book/Report/Conference proceeding › Conference 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 2011 International Conference on Electrical Insulating Materials, ISEIM 2011., 6826280, Proceedings of the International Symposium on Electrical Insulating Materials, Institute of Electrical Engineers of Japan, pp. 253-256, 2011 International Conference on Electrical Insulating Materials, ISEIM 2011, Kyoto, Japan, 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 2011 International Conference on Electrical Insulating Materials, ISEIM 2011. Institute of Electrical Engineers of Japan. 2011. p. 253-256. 6826280. (Proceedings of the International Symposium on Electrical Insulating Materials).

Komatsu, Marina ; Sato, Ryo ; Ohki, Yoshimichi et al. / Experimental and numerical analyses of molecular vibrations in poly-ε-caprolactone at terahertz frequencies. Proceedings of 2011 International Conference on Electrical Insulating Materials, ISEIM 2011. Institute of Electrical Engineers of Japan, 2011. pp. 253-256 (Proceedings of the International Symposium on Electrical Insulating Materials).

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title = "Experimental and numerical analyses of molecular vibrations in poly-ε-caprolactone at terahertz frequencies",

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.",

keywords = "Biodegradable polymer, Density functional theory, Molecular structure, Molecular vibration, Terahertz time-domain spectroscopy",

author = "Marina Komatsu and Ryo Sato and Yoshimichi Ohki and Maya Mizuno and Kaori Fukunaga and Shingo Saito",

year = "2011",

month = jan,

day = "1",

language = "English",

isbn = "9784886860743",

series = "Proceedings of the International Symposium on Electrical Insulating Materials",

publisher = "Institute of Electrical Engineers of Japan",

pages = "253--256",

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note = "2011 International Conference on Electrical Insulating Materials, ISEIM 2011 ; Conference date: 06-09-2011 Through 11-09-2011",

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TY - GEN

T1 - Experimental and numerical analyses of molecular vibrations in poly-ε-caprolactone at terahertz frequencies

AU - Komatsu, Marina

AU - Sato, Ryo

AU - Ohki, Yoshimichi

AU - Mizuno, Maya

AU - Fukunaga, Kaori

AU - Saito, Shingo

PY - 2011/1/1

Y1 - 2011/1/1

N2 - 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.

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.

KW - Biodegradable polymer

KW - Density functional theory

KW - Molecular structure

KW - Molecular vibration

KW - Terahertz time-domain spectroscopy

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M3 - Conference contribution

AN - SCOPUS:84891591688

SN - 9784886860743

T3 - Proceedings of the International Symposium on Electrical Insulating Materials

SP - 253

EP - 256

BT - Proceedings of 2011 International Conference on Electrical Insulating Materials, ISEIM 2011

PB - Institute of Electrical Engineers of Japan

T2 - 2011 International Conference on Electrical Insulating Materials, ISEIM 2011

Y2 - 6 September 2011 through 11 September 2011

ER -

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

Abstract

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ASJC Scopus subject areas

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