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Proceedings Paper

Terahertz spectroscopic investigation of methylenedioxy amphetamine
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Paper Abstract

Experimental measurement and theoretical analysis of THz spectrum for methylenedioxy amphetamine are introduced. The refractive index and absorption coefficient of the sample were observed by terahertz time-domain spectroscopy (THz-TDS) technique in the range of 0.2~2.6 THz. It exhibits obvious absorption feature at 1.40 THz and weak THz absorption at around 1.68 and 2.21 THz. The spectral absorption characteristic in THz band was useful for the inspection and identification of drugs using THz-TDS. The theoretical calculation was performed using Density functional theory (DFT) with the GAUSSIAN 03 software package. Fully geometry optimization and frequency analysis of the optimized structure were performed at the B3LYP/6-21G levels. The simulated absorption spectrum was in agreement with the experimental data, and can hence be used for the assignment of observed THz spectrum. The theoretical simulation result showed that absorption peaks mainly result from intra-molecule and inter-molecule vibrations, different absorption peaks are corresponding to different vibrational modes and intensity. So the combination of the THz-TDS and DFT is an effective way to investigate characteristic spectra of illicit drugs.

Paper Details

Date Published: 14 January 2008
PDF: 8 pages
Proc. SPIE 6840, Terahertz Photonics, 68400W (14 January 2008); doi: 10.1117/12.755338
Show Author Affiliations
Guangqin Wang, Capital Normal Univ. (China)
Jingling Shen, Capital Normal Univ. (China)


Published in SPIE Proceedings Vol. 6840:
Terahertz Photonics
Cunlin Zhang; Xi-Cheng Zhang, Editor(s)

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