用傅立叶变换红外技术表征苯甲酸类液晶的太赫兹光谱

IF 1.1 4区 化学 Q3 SPECTROSCOPY
L. Lepodise, Tshepo Pheko-Ofitlhile
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引用次数: 0

摘要

摘要采用傅里叶变换红外方法对4-辛氧基苯甲酸、4-癸氧基苯甲酸和4-己基苯甲酸液晶进行了太赫兹光谱研究。该材料在6-18太赫兹频率范围内具有明显的吸收带。用密度泛函理论计算得到的三种化合物的实验频率与理论频率之间有很好的对应关系。所研究的化合物的光谱有三个波段,它们出现在相似的频率和相同的振动模式。4-辛氧基苯甲酸、4-癸氧基苯甲酸和4-己基苯甲酸有两个频率相似、振动模式不同的吸收带。有趣的是,这项研究表明,即使几乎相似的分子结构的化合物可能在相同的频率上输出波段,这种对应关系可能并不明显。4-烷基氧基苯甲酸和4-辛基氧基苯甲酸的单分子模型频率和实验频率进一步揭示了所有观察到的波段都是由于分子内相互作用引起的。然而,4-己基苯甲酸光谱有一条明显的分子间带。这项工作解决了液晶中间太赫兹光谱研究的局限性,并进一步强调了傅里叶变换红外技术在识别具有相似属性的材料方面的鲁棒性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Terahertz (6-18 THz) spectroscopic characterization of benzoic acid class liquid crystals using Fourier Transform Infrared technique
Abstract Terahertz spectroscopic studies of 4-octyloxybenzoic acid, 4-decyloxybenzoic acid and 4-hexylbenzoic acid liquid crystals were performed using the Fourier Transform Infrared method. The materials are characterized by distinct absorption bands in the 6–18 terahertz frequency range. A good correspondence was observed between the experimental frequencies and theoretical frequencies of the single molecule obtained by Density Functional Theory calculations for all the three compounds. The spectra of the studied compounds had three bands, which appeared at similar frequencies and with the same vibration modes. 4-Octyloxybenzoic acid, 4-decyloxybenzoic acid and 4-hexylbenzoic acid had two absorption bands that appeared at similar frequencies and exhibited different vibration modes. This study interestingly demonstrates that even though compounds of an almost similar molecular structure might output bands at the same frequencies, the correspondence might not be apparent. The single molecule model frequencies and experimental frequencies for 4-decyloxybenzoic acid and 4-octyloxybenzoic acid further revealed that all the observed bands are due to intramolecular interaction. However, the 4-hexylbenzoic acid spectrum has one apparently intermolecular band. This work addresses the limitation in the intermediate terahertz spectroscopic studies of liquid crystals and furthermore emphasizes the robustness of Fourier Transform Infrared technique in identifying materials with similar attributes.
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来源期刊
Spectroscopy Letters
Spectroscopy Letters 物理-光谱学
CiteScore
2.90
自引率
5.90%
发文量
50
审稿时长
1.3 months
期刊介绍: Spectroscopy Letters provides vital coverage of all types of spectroscopy across all the disciplines where they are used—including novel work in fundamental spectroscopy, applications, diagnostics and instrumentation. The audience is intended to be all practicing spectroscopists across all scientific (and some engineering) disciplines, including: physics, chemistry, biology, instrumentation science, and pharmaceutical science.
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