天眷波谱青年论坛特邀稿件

利用核磁共振氢谱的哈勒分析获得分子序列取向参数

  • 唐明学 ,
  • SCHMIDT Claudia
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  • 德国帕德博恩大学 化学系, 帕德博恩 33098
唐明学博士,北京高压科学研究中心(HPSTAR)研究员,2013年博士毕业于德国帕德博恩大学(北威州光电研究中心),并先后在欧洲高场核磁共振中心(CRMN)、阿斯利康研发总部(瑞典)、法国科学院(CNRS)、美国国家强磁场实验室(NHMFL)进行博士后研究.他的研究领域主要为发展高级核磁共振方法,并拓展其在光电、能源、医药等材料方面的表征应用.

收稿日期: 2018-10-08

  网络出版日期: 2018-11-30

基金资助

the Deutsche Forschungsgemeinschaft (DFG) under grant GRK 1464.

Estimation of Nematic Order Parameters via Haller Analysis of 1H NMR Spectra of Liquid Crystals

  • TANG Ming-xue ,
  • SCHMIDT Claudia
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  • Department of Chemistry, Paderborn University, 33098 Paderborn, Germany

Received date: 2018-10-08

  Online published: 2018-11-30

Supported by

the Deutsche Forschungsgemeinschaft (DFG) under grant GRK 1464.

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.

本文引用格式

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 . DOI: 10.11938/cjmr20182685

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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