| 利用核磁共振氢谱的哈勒分析获得分子序列取向参数 |
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| 引用本文： | 唐明学,SCHMIDT Claudia.利用核磁共振氢谱的哈勒分析获得分子序列取向参数[J].波谱学杂志,2019,36(2):138-147. |
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| 作者姓名： | 唐明学 SCHMIDT Claudia |
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| 作者单位： | 北京高压科学研究中心,北京,100094;北京高压科学研究中心,北京,100094 |
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| 基金项目： | the Deutsche Forschungsgemeinschaft (DFG) under grant GRK 1464. |
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| 摘 要： | 本文通过全氢液晶材料的核磁共振氢谱（1H NMR）的哈勒关联研究推测了分子序列取向参数，包括随温度变化的双峰距离及全谱图的半高峰宽.通过哈勒拟合并外推所得到的4'-正戊基-4'-氰基联苯（5CB）和混合液晶E7分子取向参数，与其它方法获得的取值一致.
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| 关 键 词： | 丝状液晶 取向参数 哈勒分析 核磁共振氢谱(1HNMR) |
| 收稿时间： | 2018-10-08 |
Estimation of Nematic Order Parameters via Haller Analysis of 1H NMR Spectra of Liquid Crystals |
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| TANG Ming-xue,SCHMIDT Claudia.Estimation of Nematic Order Parameters via Haller Analysis of 1H NMR Spectra of Liquid Crystals[J].Chinese Journal of Magnetic Resonance,2019,36(2):138-147. |
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| Authors: | TANG Ming-xue SCHMIDT Claudia |
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| Institution: | Department of Chemistry, Paderborn University, 33098 Paderborn, Germany |
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| Abstract: | The Haller relationship was applied to estimate the nematic order parameter S from 1H NMR spectra of fully protonated liquid crystals aligned in the magnetic field. The NMR line shapes were approximated as doublets of very broad peaks. Both the temperature-dependent doublet Splitting and the full width at half maximum of the whole spectra were used for Haller extrapolation. The order parameters obtained with the proposed approach for 4-cyano-4'-pentylbiphenyl (5CB) and the nematic mixture E7 were found to be in good agreement with previously reports. |
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| Keywords: | nematic liquid crystal order parameter Haller analysis 1H NMR |
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