Terahertz spectra of L-phenylalanine and its monohydrate
Pan, TT; Li, SP; Zou, T; Yu, Z; Zhang, B; Wang, CY; Zhang, JB; He, MX; Zhao, HW
2017
发表期刊SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN1386-1425
卷号178页码:19-23
文章类型期刊论文
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.
关键词L-phenylalanine Monohydrate Terahertz Absorption Spectrum Low-frequency Vibration Dft
DOI10.1016/j.saa.2017.01.050
收录类别SCI
语种英语
WOS记录号WOS:000397370000004
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/27469
专题中科院上海应用物理研究所2011-2018年
推荐引用方式
GB/T 7714
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,2017,178:19-23.
APA Pan, TT.,Li, SP.,Zou, T.,Yu, Z.,Zhang, B.,...&Zhao, HW.(2017).Terahertz spectra of L-phenylalanine and its monohydrate.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,178,19-23.
MLA Pan, TT,et al."Terahertz spectra of L-phenylalanine and its monohydrate".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 178(2017):19-23.
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