Experimental and Theoretical Study of Strong Low-Terahertz Absorption of Thymine

W. D. Zhang; A. Bykhovski; J. A. Deibel; E. R. Brown

doi:10.1007/s10762-017-0420-z

Experimental and Theoretical Study of Strong Low-Terahertz Absorption of Thymine

W. D. Zhang, A. Bykhovski, J. A. Deibel, E. R. Brown

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

Abstract

The absorption coefficient of a nucleobase-thymine-in powder form was measured with terahertz spectroscopy in both frequency- and time-domain experiments. For frequencies below 3 THz, a strong signature was observed at 1.27 THz. Furthermore, molecular-dynamic simulations were conducted to reveal that the 1.27 THz absorption signature is related to a transverse optical phonon mode. The simulations also indicated that bound water molecules are vital to the vibrational mode.

Original language	English
Pages (from-to)	1521-1529
Number of pages	9
Journal	Journal of Infrared, Millimeter, and Terahertz Waves
Volume	38
Issue number	12
DOIs	https://doi.org/10.1007/s10762-017-0420-z
State	Published - Dec 1 2017

ASJC Scopus Subject Areas

Radiation
Instrumentation
Condensed Matter Physics
Electrical and Electronic Engineering

Keywords

Bound water molecules
Molecular simulation
Nucleobases
Optical phonon
Spectroscopy

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10.1007/s10762-017-0420-z

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abstract = "The absorption coefficient of a nucleobase-thymine-in powder form was measured with terahertz spectroscopy in both frequency- and time-domain experiments. For frequencies below 3 THz, a strong signature was observed at 1.27 THz. Furthermore, molecular-dynamic simulations were conducted to reveal that the 1.27 THz absorption signature is related to a transverse optical phonon mode. The simulations also indicated that bound water molecules are vital to the vibrational mode.",

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AU - Zhang, W. D.

AU - Bykhovski, A.

AU - Deibel, J. A.

AU - Brown, E. R.

PY - 2017/12/1

Y1 - 2017/12/1

N2 - The absorption coefficient of a nucleobase-thymine-in powder form was measured with terahertz spectroscopy in both frequency- and time-domain experiments. For frequencies below 3 THz, a strong signature was observed at 1.27 THz. Furthermore, molecular-dynamic simulations were conducted to reveal that the 1.27 THz absorption signature is related to a transverse optical phonon mode. The simulations also indicated that bound water molecules are vital to the vibrational mode.

AB - The absorption coefficient of a nucleobase-thymine-in powder form was measured with terahertz spectroscopy in both frequency- and time-domain experiments. For frequencies below 3 THz, a strong signature was observed at 1.27 THz. Furthermore, molecular-dynamic simulations were conducted to reveal that the 1.27 THz absorption signature is related to a transverse optical phonon mode. The simulations also indicated that bound water molecules are vital to the vibrational mode.

KW - Bound water molecules

KW - Molecular simulation

KW - Nucleobases

KW - Optical phonon

KW - Spectroscopy

UR - https://www.scopus.com/pages/publications/85023753716

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SN - 1866-6892

VL - 38

SP - 1521

EP - 1529

JO - Journal of Infrared, Millimeter, and Terahertz Waves

JF - Journal of Infrared, Millimeter, and Terahertz Waves

IS - 12

ER -

Experimental and Theoretical Study of Strong Low-Terahertz Absorption of Thymine

Abstract

ASJC Scopus Subject Areas

Keywords

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