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Measurement and DFT Calculation on Terahertz Spectroscopy of 4-aminobenzoic Acid

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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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Acknowledgement

We are grateful to the technical support and helpful discussion of Prof. X.-C Zhang, Dr. Yunqing Chen, Prof. Cunlin Zhang, Dr. Shixiang Lu.

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Correspondence to Qian Song.

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Song, Q., Zhao, Y., Zhang, R. et al. Measurement and DFT Calculation on Terahertz Spectroscopy of 4-aminobenzoic Acid. J Infrared Milli Terahz Waves 31, 310–318 (2010). https://doi.org/10.1007/s10762-009-9591-6

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  • DOI: https://doi.org/10.1007/s10762-009-9591-6

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