红外与毫米波学报2017，Vol.36Issue(5)：538-542,5.DOI:10.11972/j.issn.1001-9014.2017.05.005
二硝基苯甲酸同分异构体的太赫兹与红外光谱特性
The optical properties of dinitrobenzoic acid isomers in the terahertz and infrared regions
摘要
Abstract
The absorption spectra of four dinitrobenzoic acid isomers were acquired over the range of 0.3 ～ 2.2 THz using a terahertz time-domain spectroscopy (THz-TDS) system and over the range of 1 400 ～ 1 800 cm-1 using a Fourier transform infrared spectrometer (FTIR).These isomers generate very similar IR spectra but there are substantial differences in the THz region.Vibrational spectra were simulated using density functional theory and the results of these calculations explain the differences and similarities in both the THz and FFIR spectra.THz-TDS technique appears to be a powerful means of identifying isomers in the pharmaceutical and chemical industries.关键词
同分异构体/吸收谱/太赫兹时域光谱/红外光谱仪/密度泛函理论Key words
isomers/absorption spectra/terahertz time-domain spectroscopy/infrared spectrometer/density functional theory分类
数理科学引用本文复制引用
张建娜,张波,沈京玲..二硝基苯甲酸同分异构体的太赫兹与红外光谱特性[J].红外与毫米波学报,2017,36(5):538-542,5.基金项目
Supported by the National Instrumentation Program (Grant no.2012YQ140005) （Grant no.2012YQ140005）
the National Natural Science Foundation of China (Grant no.61505125) （Grant no.61505125）
the Nature Science Foundation of Beijing (Grant no.4144069) （Grant no.4144069）
