Terahertz spectra of L-phenylalanine and its monohydrate

doi:10.1016/j.saa.2017.01.050

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	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
ISSN	1386-1425
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
DOI	10.1016/j.saa.2017.01.050
收录类别	SCI
语种	英语
WOS记录号	WOS:000397370000004
引用统计	被引频次：5[WOS] [WOS记录] [WOS相关记录]
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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