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

CORC > 西安光学精密机械研究所 > 中国科学院西安光学精密机械研究所 > 瞬态光学技术国家重点实验室

	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
刊名	chemical physics letters
	2012-02-16
卷号	525-26 页码:140-143
ISSN号	0009-2614
产权排序	1
合作状况	国内
中文摘要	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.
英文摘要	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.
学科主题	chemistry ; physical ; physics ; atomic ; molecular & chemical
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, physical ; physics, atomic, molecular & chemical
研究领域[WOS]	chemistry ; physics
关键词[WOS]	density-functional theory ; time-domain spectroscopy ; vibrational-spectra ; polymorphs ; castep
收录类别	SCI
语种	英语
WOS记录号	WOS:000300225900027
公开日期	2012-09-04
内容类型	期刊论文
源URL	[http://ir.opt.ac.cn/handle/181661/20372]
专题	西安光学精密机械研究所_瞬态光学技术国家重点实验室
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.