Terahertz spectroscopic investigation of gallic acid and its monohydrate
Zhang, B; Li, SP; Wang, CY; Zou, T; Pan, TT; Zhang, JB; Xu, Z; Ren, GH; Zhao, HW
2018
发表期刊SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN1386-1425
卷号190页码:40-46
文章类型期刊论文
摘要The low-frequency spectra of gallic acid (GA) and its monohydrate were investigated by terahertz time-domain spectroscopy (THz-TDS) in the range of 0.5 to 4.5 THz. The dehydration process of GA monohydrate was monitored on-line. The kinetic mechanism of the dehydration process was analyzed depending on the THz spectral change at different temperatures. The results indicate that the diffusion of water molecule dominates the speed of the entire dehydration process. Solid-state density functional theory (DFT) calculations of the vibrational modes of both GA and its monohydrate were performed based on their crystalline structures for better interpreting the experimental THz spectra. The results demonstrate that the characterized features of GA mainly originate from the collective vibrations of molecules. And the interactions between GA and water molecules are responsible for THz fingerprint of GA monohydrate. Multi-techniques including differential scanning calorimetry and thermogravimetry (DSC-TG) and powder X-ray diffraction (PXRD) were also carried out to further investigate GA and its monohydrate. (C) 2017 Elsevier B.V. All rights reserved.
关键词Time-domain Spectroscopy Dehydration Kinetics Spectra Crystals
DOI10.1016/j.saa.2017.09.004
收录类别SCI
语种英语
WOS记录号WOS:000415912500006
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/29169
专题中科院上海应用物理研究所2011-2018年
作者单位1.Zhang, B
2.Li, SP
3.Wang, CY
4.Zou, T
5.Pan, TT
6.Zhang, JB
7.Xu, Z
8.Ren, GH
9.Zhao, HW
推荐引用方式
GB/T 7714
Zhang, B,Li, SP,Wang, CY,et al. Terahertz spectroscopic investigation of gallic acid and its monohydrate[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2018,190:40-46.
APA Zhang, B.,Li, SP.,Wang, CY.,Zou, T.,Pan, TT.,...&Zhao, HW.(2018).Terahertz spectroscopic investigation of gallic acid and its monohydrate.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,190,40-46.
MLA Zhang, B,et al."Terahertz spectroscopic investigation of gallic acid and its monohydrate".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 190(2018):40-46.
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