Measurement and DFT Calculation on Terahertz Spectroscopy of 4-aminobenzoic Acid |
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| Authors: | Qian Song Yuejin Zhao Ruichun Zhang Xiaohua Liu Liquan Dong Wenguo Xu |
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| Affiliation: | (1) School of optoelectronics, Beijing Institute of Technology, Beijing, China, 100081;(2) Center for terahertz Research, Rensselaer Polytechnic Institute, Troy, NY 12180, USA;(3) Department of Chemical Physics, Beijing Institute of Technology, Beijing, China, 100081 |
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| 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. |
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