文献类型：期刊文献

英文题名：Terahertz time-domain spectroscopy of L-histidine hydrochloride monohydrate

作者：Zong, Siqi[1,2,3];Ren, GuanHua[2,3,4,5,6];Li, Shaoping[1];Zhang, Bo[1,2,3];Zhang, Jianbing[2,3];Qi, Wenpeng[2,3];Han, Jiaguang[4,5,6];Zhao, Hongwei[2,3]

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, Shanghai 200237, Peoples R China;[2]Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China;[3]Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China;[4]Tianjin Univ, Ctr Terahertz Waves, Tianjin 300072, Peoples R China;[5]Tianjin Univ, Coll Precis Instrument & Optoelect Engn, Tianjin 300072, Peoples R China;[6]Tianjin Univ, Key Lab Optoelect Informat & Technol, Minist Educ, Tianjin 300072, Peoples R China

年份：2018

卷号：1157

起止页码：486

外文期刊名：JOURNAL OF MOLECULAR STRUCTURE

收录：;EI(收录号：20180204616483);WOS:【SCI-EXPANDED(收录号:WOS:000425197400058)】；

基金：This work was supported by the Main Direction Program of Knowledge Innovation and Open Project Program of Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, the National Science Foundation [No. 11604359].

语种：英文

外文关键词：L-histidine hydrochloride monohydrate; Low-frequency vibration; Terahertz absorption spectrum; Temperature effect

摘要：The low-frequency absorption spectrum of L-histidine hydrochloride rnonohydrate (LHHM) over 0.5-4.0 THz was measured by terahertz time-domain spectroscopy (THz-TDS). The comparison between the THz absorption spectra of LHHM and L-histidine (LHis) was made. The two distinctive THz spectra of LHHM and LHis indicate that THz spectroscopy is sensitive to different specimens. The low-temperature THz spectral features of LHHM presented the blue-shift and splitting as the temperature decreased. Solid-state density functional theory (DFT) calculation of the vibrational modes of LHHM was performed for better understanding the THz characteristic spectrum, and the validity of the calculation modes was confirmed by comparing with the experimental observations. Powder X-ray diffraction (PXRD) was also carried out to check the structures of LHHM and LHis. (C) 2017 Elsevier B.V. All rights reserved.