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题名:
Terahertz spectra of L-phenylalanine and its monohydrate
作者: Pan, TT; Li, SP; Zou, T; Yu, Z; Zhang, B; Wang, CY; Zhang, JB; He, MX; Zhao, HW
刊名: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
出版日期: 2017
卷号: 178, 页码:19-23
关键词: L-Phenylalanine ; Monohydrate ; Terahertz absorption spectrum ; Low-frequency vibration ; DFT
DOI: 10.1016/j.saa.2017.01.050
文章类型: 期刊论文
英文摘要: The low-frequency vibrational property of L-phenylalanine (L-Phe) and L-phenylalanine monohydrate (L-Phe center dot H2O) has been investigated by terahertz time-domain spectroscopy (THz-TDS) at room and low temperature ranging from 0.5 to 4.5 THz. Distinctive THz absorption spectra of the two compounds were observed. Density functional theory (DFT) calculations based on the crystal structures have been performed to simulate the vibrational modes of L-Phe and L-Phe center dot H2O and the results agree well with the experimental observations. The study indicates that the characterized features of L-Phe mainly originate from the collective vibration of molecules. And the characterized features of L-Phe center dot H2O mainly come from hydrogen bond interactions between L-Phe and water molecules. L-Phe and L-Phe center dot H2O were also verified by differential scanning calorimetry and thermogravimetry (DSC-TG) and powder X-ray diffraction (PXRD) examinations. (C) 2017 Published by Elsevier B.V.
收录类别: SCI
语种: 英语
WOS记录号: WOS:000397370000004
ISSN号: 1386-1425
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.sinap.ac.cn/handle/331007/27469
Appears in Collections:中科院上海应用物理研究所2011-2017年_期刊论文

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Recommended Citation:
Pan, TT,Li, SP,Zou, T,et al. Terahertz spectra of L-phenylalanine and its monohydrate[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2017-01-01,178:19-23.
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文件名: Terahertz spectra of L-phenylalanine and its monohydrate.pdf
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