Effects of Oxygen on Viscosity of Nematic Liquid Crystal

ZHANG Ran; PENG Zeng-hui; LIU Yong-gang; XUAN Li

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Effects of Oxygen on Viscosity of Nematic Liquid Crystal

Material Physics & Chemistry | 更新时间：2020-08-12

- Effects of Oxygen on Viscosity of Nematic Liquid Crystal
- Chinese Journal of Liquid Crystals and Displays Vol. 24, Issue 5, Pages: 640-644(2009)
- 作者机构：
  
  1. 中国科学院研究生院北京,100039
  2. 中国科学院长春光学精密机械与物理研究所应用光学国家重点实验室, 吉林长春 130033, E-mail:arandy@tom.com
- 作者简介：
- 基金信息：
- DOI：
  CLC： O753.2
- Received：20 March 2009，
  
  Revised：02 January 1900，
  
  Published Online：30 October 2009，
  
  Published：30 October 2009
- 稿件说明：
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张然;彭增辉;刘永刚;宣丽. 氧原子对向列相液晶粘度的影响[J]. 液晶与显示, 2009,24(5): 640-644

ZHANG Ran;PENG Zeng-hui;LIU Yong-gang;XUAN Li. Effects of Oxygen on Viscosity of Nematic Liquid Crystal[J]. 液晶与显示, 2009,24(5): 640-644
张然;彭增辉;刘永刚;宣丽. 氧原子对向列相液晶粘度的影响[J]. 液晶与显示, 2009,24(5): 640-644 DOI：

ZHANG Ran;PENG Zeng-hui;LIU Yong-gang;XUAN Li. Effects of Oxygen on Viscosity of Nematic Liquid Crystal[J]. 液晶与显示, 2009,24(5): 640-644 DOI：

摘要

对于向列液晶分子中常见的典型含氧基团

通过密度泛函理论(Density Functional Theory

DFT)的B3LYP/6-31G(d)方法计算了氧原子处于不同位置以及与不同基团相连时的静电势分布和偶极矩大小

分析了含氟基团和氧原子相连时对静电势分布和偶极矩的影响

研究了这些含有氧原子的基团和其它相关基团对应的液晶化合物的粘度与静电势分布和偶极矩的联系

所得到的结论有助于理解液晶粘度与分子电子结构之间的关系以及低粘度液晶的分子设计。

Abstract

The electrostatic potential (ESP) and dipole moments of typical oxygen-containing groups in nematic liquid crystals (NLC)

for which the oxygen atom can lie in different position or connected with different groups

have been calculated by the DFT B3LYP/6-31G(d) level theory. When fluorinated groups connected with oxygen atom directly

their impacts on the ESP and dipole moments were analyzed. The connections between these ESP and dipole moments with the viscosity of NLC have been studied. The conclusions here are really helpful for the understanding of the electronic structure-viscosity relationship and for the molecule design of low viscosity NLC compounds.

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references

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Related Institution

State Key Laboratory of Applied Optics, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033, China,E-mail:arandy@tom.

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Information Engineering Institute， Guangzhou Railway Polytechnic

College of Engineering and Applied Sciences， Nanjing University

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