Article

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

Rensselaer Polytechnic Institute Center for terahertz Research Troy NY 12180 USA
Journal of infrared, millimeter and terahertz waves (impact factor: 0.74). 04/2012; 31(3):310-318. DOI:10.1007/s10762-009-9591-6 pp.310-318

ABSTRACT We report the measurement of the terahertz (THz) spectra of 4-aminobenzoic acid by using Fourier transform infrared (FTIR)
spectroscopy in the 1.5–19.5THz. Low frequency intermolecular (or phonon) modes between 0.3 and 2.4THz 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 2.19THz.

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Keywords

1.5–19.5THz. Low frequency intermolecular
 
calculated results
 
DFT
 
experimental data
 
Fourier
 
spectroscopy
 
terahertz
 
THz time-domain spectroscopy
 
vibrational frequencies
 

Qian Song