Terahertz spectra of L-phenylalanine and its monohydrate

doi:10.1016/j.saa.2017.01.050

CAS OpenIR > 中科院上海应用物理研究所2011-2018年

	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
Source Publication	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN	1386-1425
Volume	178 Pages:19-23
Subtype	期刊论文
Abstract	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.
Keyword	L-phenylalanine Monohydrate Terahertz Absorption Spectrum Low-frequency Vibration Dft
DOI	10.1016/j.saa.2017.01.050
Indexed By	SCI
Language	英语
WOS ID	WOS:000397370000004
Citation statistics	Cited Times:8[WOS] [WOS Record] [Related Records in WOS]
Document Type	期刊论文
Identifier	http://ir.sinap.ac.cn/handle/331007/27469
Collection	中科院上海应用物理研究所2011-2018年
Recommended Citation 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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