Measurement and DFT calculation on terahertz spectroscopy of 4-aminobenzoic acid

Qian Song; Yuejin Zhao; Ruichun Zhang; Xiaohua Liu; Liquan Dong; Wenguo Xu

doi:10.1007/s10762-009-9591-6

Measurement and DFT calculation on terahertz spectroscopy of 4-aminobenzoic acid

Qian Song^*, Yuejin Zhao, Ruichun Zhang, Xiaohua Liu, Liquan Dong, Wenguo Xu

^*Corresponding author for this work

School of Optics and Photonics

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

14 Citations (Scopus)

Abstract

We report the measurement of the terahertz (THz) spectra of 4-aminobenzoic acid by using Fourier transform infrared (FTIR) spectroscopy in the 1.5-19.5 THz. Low frequency intermolecular (or phonon) modes between 0.3 and 2.4 THz were also investigated via THz time-domain spectroscopy. Structure and vibrational frequencies of the sample were calculated through density functional theory(DFT). The calculated results are in agreement with the experimental data. Moreover, we have interpreted observed vibrational frequencies using DFT. Two intermolecular or phonon modes were identified at 1.54 and 2.19 THz.

Original language	English
Pages (from-to)	310-318
Number of pages	9
Journal	Journal of Infrared, Millimeter, and Terahertz Waves
Volume	31
Issue number	3
DOIs	https://doi.org/10.1007/s10762-009-9591-6
Publication status	Published - Mar 2010

Keywords

4-aminobenzoic acid
Density functional theory
FTIR
THz-TDS

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10.1007/s10762-009-9591-6

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title = "Measurement and DFT calculation on terahertz spectroscopy of 4-aminobenzoic acid",

abstract = "We report the measurement of the terahertz (THz) spectra of 4-aminobenzoic acid by using Fourier transform infrared (FTIR) spectroscopy in the 1.5-19.5 THz. Low frequency intermolecular (or phonon) modes between 0.3 and 2.4 THz were also investigated via THz time-domain spectroscopy. Structure and vibrational frequencies of the sample were calculated through density functional theory(DFT). The calculated results are in agreement with the experimental data. Moreover, we have interpreted observed vibrational frequencies using DFT. Two intermolecular or phonon modes were identified at 1.54 and 2.19 THz.",

keywords = "4-aminobenzoic acid, Density functional theory, FTIR, THz-TDS",

author = "Qian Song and Yuejin Zhao and Ruichun Zhang and Xiaohua Liu and Liquan Dong and Wenguo Xu",

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TY - JOUR

T1 - Measurement and DFT calculation on terahertz spectroscopy of 4-aminobenzoic acid

AU - Song, Qian

AU - Zhao, Yuejin

AU - Zhang, Ruichun

AU - Liu, Xiaohua

AU - Dong, Liquan

AU - Xu, Wenguo

PY - 2010/3

Y1 - 2010/3

N2 - We report the measurement of the terahertz (THz) spectra of 4-aminobenzoic acid by using Fourier transform infrared (FTIR) spectroscopy in the 1.5-19.5 THz. Low frequency intermolecular (or phonon) modes between 0.3 and 2.4 THz were also investigated via THz time-domain spectroscopy. Structure and vibrational frequencies of the sample were calculated through density functional theory(DFT). The calculated results are in agreement with the experimental data. Moreover, we have interpreted observed vibrational frequencies using DFT. Two intermolecular or phonon modes were identified at 1.54 and 2.19 THz.

AB - We report the measurement of the terahertz (THz) spectra of 4-aminobenzoic acid by using Fourier transform infrared (FTIR) spectroscopy in the 1.5-19.5 THz. Low frequency intermolecular (or phonon) modes between 0.3 and 2.4 THz were also investigated via THz time-domain spectroscopy. Structure and vibrational frequencies of the sample were calculated through density functional theory(DFT). The calculated results are in agreement with the experimental data. Moreover, we have interpreted observed vibrational frequencies using DFT. Two intermolecular or phonon modes were identified at 1.54 and 2.19 THz.

KW - 4-aminobenzoic acid

KW - Density functional theory

KW - FTIR

KW - THz-TDS

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M3 - Article

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SN - 1866-6892

VL - 31

SP - 310

EP - 318

JO - Journal of Infrared, Millimeter, and Terahertz Waves

JF - Journal of Infrared, Millimeter, and Terahertz Waves

IS - 3

ER -

Measurement and DFT calculation on terahertz spectroscopy of 4-aminobenzoic acid

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Keywords

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