丁基羟基茴香醚的太赫兹时域光谱检测与分析

J4 ›› 2016, Vol. 33 ›› Issue (6): 641-646.

• 光谱 • 下一篇

丁基羟基茴香醚的太赫兹时域光谱检测与分析

刘英¹,赵国忠²,周倩³,王佳¹,张新群¹

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

收稿日期:2015-07-23 修回日期:2015-10-30 出版日期:2016-11-28 发布日期:2016-11-28
通讯作者: 赵国忠（1964-），男，内蒙古，博士，教授，主要从事太赫兹光谱与成像、光电功能材料和光电子学等方面的研究。 E-mail:guozhong-zhao@cnu.edu.cn
基金资助:
国家自然科学基金资助（50971094和61171051）、北京市自然科学基金与北京市教委科技发展计划重点项目资助（KZ201310028032）

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

Received:2015-07-23 Revised:2015-10-30 Published:2016-11-28 Online:2016-11-28
Supported by:
National Natural Science Foundation of China funded（50971094和61171051）、Beijing Natural Science Foundation of China and the Beijing Municipal Education Commission of Science and Technology Development Program Key Projects Funded（KZ201310028032）

摘要/Abstract

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0.2-2.6THz波段的吸收谱和折射率谱。实验结果表明,在此波段内该物质有三个明显的吸收峰，分别位于0.64THz，1.14THz和1.81THz，该指纹谱可用于THz波段该物质的检测与识别。此外，利用最小二乘法对混合物太赫兹光谱峰位的吸收系数和质量分数进行线性拟合，结果表明聚乙烯中丁基羟基茴香醚的含量与太赫兹光谱的相关系数大于0.98。最后，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，表明太赫兹指纹谱与分子构型和分子内部运动有关系。

关键词: 光谱学；吸收谱；最小二乘法；密度泛函理论；定量分析

Abstract: The terahertz (THz) spectra of butyl hydroxy anisole (BHA) and its mixtures were measured in the frequency range of 0.2 - 2.6 THz by the THz time-domain spectroscopy. The results show that there are three distinctive absorption peaks in this frequency range, which were found at 0.64 THz, 1.14 THz and 1.81 THz. It can be used to identify this substance. In addition, the terahertz spectra of BHA mixture were analyzed by the least squares method. The results show that the correlation between terahertz absorption coefficient and the mass fraction of BHA is larger than 0.98. Finally, the numerical calculations based on the density functional theory are carried out for the single-molecule butyl hydroxy anisole.The results show that the terahertz absorption peaks have relationship with molecular conformation and molecular motion inside.

Key words: Spectroscopy；Absorption spectra；Least Squares Method；Density Functional Theory；Quantitative Analysis

中图分类号:

0433.1

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]. J4, 2016, 33(6): 641-646.

LIU Ying, ZHAO Guozhong, ZHOU Qian, WANG Jia, ZHANG Xinqun. Terahertz time-domain spectroscopy detection and analysis of butyl hydroxy anisole [J]. J4, 2016, 33(6): 641-646.

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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

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