丁基羟基茴香醚的太赫兹时域光谱检测与分析

刘英; 赵国忠; 周倩; 王佳; 张新群

doi:doi:10.3969/j.issn.1007-5461.2016.06.001

量子电子学报, 2016, 33 (6): 641, 网络出版: 2017-01-03

丁基羟基茴香醚的太赫兹时域光谱检测与分析

Terahertz time-domain spectroscopy detection and analysis of butyl hydroxy anisole

论文大纲

刘英 ^*赵国忠周倩王佳张新群

作者单位

首都师范大学物理系, 北京市太赫兹波谱与成像重点实验室, 太赫兹光电子学教育部重点实验室, 北京 100048

光谱学吸收谱折射率谱最小二乘法密度泛函理论 spectroscopy absorption spectra refractive index spectra least squares method density functional theory

摘要

利用太赫兹时域光谱(THz-TDS)技术对食品添加剂丁基羟基茴香醚(BHA)及其与聚乙烯不同配比的混合物进行了检测,获得了其在0.2～2.6 THz波段的吸收谱和折射率谱。实验结果表明:此波段内该样品有3个明显的吸收峰,分别位于0.64、1.14、1.81 THz, 该指纹谱可用于THz波段该物质的检测与识别。对BHA混合物的太赫兹光谱进行了最小二乘法分析,结果表明太赫兹吸收系数与BHA质量分数的相关系数大于0.98。用密度泛函理论对单分子丁基羟基茴香醚进行了数值计算,表明太赫兹吸收峰与分子构型和分子内部运动有关。

Abstract

Food additives butyl hydroxy anisole (BHA) and its mixtures with polythene of different ratio are measured by using terahertz time domain spectroscopy (THz-TDS) technology, and the absorption spectrum and refractive index spectrum of 0.2～2.6 THz band are obtained. Experimental results show that there are three obvious absorption peaks of the sample in the band, which locates at 0.64, 1.14, 1.81 THz, respectively. The fingerprint spectrum can be used for the detection and identification of the substance in THz band. The terahertz spectra of BHA mixture are analyzed by the least squares method. Results show that the correlation coefficient between the terahertz absorption coefficient and mass fraction of BHA is larger than 0.98. The numerical calculation of single-molecule BHA is carried out with density functional theory. It is indicated that the terahertz absorption peaks have relationship with molecular conformation and molecular internal motion.

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刘英, 赵国忠, 周倩, 王佳, 张新群. 丁基羟基茴香醚的太赫兹时域光谱检测与分析[J]. 量子电子学报, 2016, 33(6): 641. LIU Ying, ZHAO Guozhong, ZHOU Qian, WANG Jia, ZHANG Xinqun. Terahertz time-domain spectroscopy detection and analysis of butyl hydroxy anisole[J]. Chinese Journal of Quantum Electronics, 2016, 33(6): 641.

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