title: [Spectral analysis of nitrofurantoin in the terahertz frequency range].
abstract: The present article measured the absorption coefficient spectra and refractive index spectra of nitrofurantoin original drug, which is one kind of nitrofuran drugs, in the terahertz frequency range from 0.2 to 1.8 THz using terahertz time-domain spectroscopy. The results showed that there exist a number of characteristic absorption peaks of nitrofurantoin with different intensity in the range and the absorption coefficient spectra can be used to identify nitrofurantoin. The article also simulated absorption coefficient spectra of nitrofurantoin molecule within 0.2 - 1.8 THz using density functional theory by Gaussian software, and vibrational modes of some peaks in the experimental absorption coefficient spectra were analyzed and identified. The results show that the experimental absorption peaks at 1.25 and 1.60 THz correspond with the theoretical peaks at 1.30 and 1.67 THz, and these experimental peaks were caused by intramolecular vibrational modes of nitrofurantoin.
authors.affiliation: Department of Control Science and Engineering, Zhejiang University, Hangzhou 310027, China. kangxusheng@yahoo.com.cn
authors.forename: Xu-Sheng
authors.initials: XS
authors.lastname: Kang
authors.forename: Di-Bo
authors.initials: DB
authors.lastname: Hou
authors.forename: Guang-Xin
authors.initials: GX
authors.lastname: Zhang
authors.forename: Xi-Ai
authors.initials: XA
authors.lastname: Chen
authors.forename: Fei-Heng
authors.initials: FH
authors.lastname: Yue
authors.forename: Ping-Jie
authors.initials: PJ
authors.lastname: Huang
authors.forename: Ze-Kui
authors.initials: ZK
authors.lastname: Zhou
mesh_terms: D009582:Nitrofurantoin / Q000032:analysis*; D012031:Refractometry; D055068:Terahertz Spectroscopy; D014732:Vibration
chemical_list: D009582:Nitrofurantoin