Terahertz absorption spectra of benzene-1,2-diol, benzene-1,3-diol and benzene-1,4-diol

doi:10.1016/j.cplett.2011.12.062

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	Terahertz absorption spectra of benzene-1,2-diol, benzene-1,3-diol and benzene-1,4-diol
	Zheng, Zhuan-Ping; Fan, Wen-Hui; Yan, Hui
作者部门	瞬态光学国家重点实验室
	2012-02-16
发表期刊	CHEMICAL PHYSICS LETTERS
ISSN	0009-2614
卷号	525-26 页码:140-143
产权排序	1
摘要	The terahertz spectra (8-128 cm(-1)) of three structural isomers have been measured using terahertz time-domain spectroscopy at room temperature. Substantial differences among these THz spectra have been found and implied that THz-TDS is an excellent tool to identify isomers. Numerical calculation based on solid-state density functional theory has been carried out and assigned the observed THz features theoretically. Good agreement between the calculated and experimentally measured spectra for benzene-1,2-diol and benzene-1,3-diol has been achieved. According to the calculated results, it is found that the measured THz spectra of these two isomers mainly originate from intermolecular vibrations. (C) 2011 Elsevier B.V. All rights reserved.
文章类型	Article
学科领域	Chemistry
WOS标题词	Science & Technology ; Physical Sciences
DOI	10.1016/j.cplett.2011.12.062
收录类别	SCI
关键词[WOS]	DENSITY-FUNCTIONAL THEORY ; TIME-DOMAIN SPECTROSCOPY ; VIBRATIONAL-SPECTRA ; POLYMORPHS ; CASTEP
语种	英语
WOS研究方向	Chemistry ; Physics
WOS类目	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000300225900027
引用统计	被引频次：35[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.opt.ac.cn/handle/181661/20372
专题	瞬态光学研究室
作者单位	Chinese Acad Sci, Xian Inst Opt & Precis Mech, State Key Lab Transient Opt & Photon, Xian 710119, Peoples R China
推荐引用方式 GB/T 7714	Zheng, Zhuan-Ping,Fan, Wen-Hui,Yan, Hui. Terahertz absorption spectra of benzene-1,2-diol, benzene-1,3-diol and benzene-1,4-diol[J]. CHEMICAL PHYSICS LETTERS,2012,525-26:140-143.
APA	Zheng, Zhuan-Ping,Fan, Wen-Hui,&Yan, Hui.(2012).Terahertz absorption spectra of benzene-1,2-diol, benzene-1,3-diol and benzene-1,4-diol.CHEMICAL PHYSICS LETTERS,525-26,140-143.
MLA	Zheng, Zhuan-Ping,et al."Terahertz absorption spectra of benzene-1,2-diol, benzene-1,3-diol and benzene-1,4-diol".CHEMICAL PHYSICS LETTERS 525-26(2012):140-143.

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