氧原子对向列相液晶粘度的影响

张 然; 彭增辉; 刘永刚; 宣 丽

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氧原子对向列相液晶粘度的影响

材料物理和化学 | 更新时间：2020-08-12

- 氧原子对向列相液晶粘度的影响
- Effects of Oxygen on Viscosity of Nematic Liquid Crystal
- 液晶与显示 2009年24卷第5期页码：640-644
- 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：
  中图分类号： O753.2
- 收稿日期：2009-03-20，
  
  修回日期：1900-01-02，
  
  网络出版日期：2009-10-30，
  
  纸质出版日期：2009-10-30
- 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

. Demus D, Goodbye J W, Gray G W, et al. Handbook of Liquid Crystals [M]. Chichester: Wiley-VCH, 1998.

. 杨傅子. 近期液晶研究中的几个新方向——液晶非显示应用基础研究中的进展 [J]. 物理学进展, 2008, 28(2): 107-129.

. Wu S T, Wu C S. Experimental confirmation of the Opsitov-Terentjev theory on the viscosity of nematic liquid crystals [J]. Phys. Rev. A, 1990, 33(42):2219-2227.

. Dark M L, Moore M H, Shenoy D K, et al. Rotational viscosity and molecular structure of nematic liquid crystals [J]. Liq. Cryst., 1990, 33(1):67-73.

. Becke A D. A new mixing of Hartree-Fock and local density-functional theories [J]. J. Chem. Phys., 1993, 98(2):1372-1377.

. Young D C. Computational Chemistry: A Practical Guide for Applying Techniques to Real-world Problems [M]. New York:John Wiley & Sons, 2001.

. Cramer C J. Essentials of Computational Chemistry [M]. Chichester: John Wiley & Sons, 2004.

. 王东来,霍玉春. 几个小分子静电势的密度泛函理论计算 [J]. 原子与分子物理学报 ,2006,23(4):772-776.

. Belyaev V V. Physical methods for measuring the viscosity coefficients of nematic liquid crystals [J]. Usp. Fiz. Nauk., 2001, 44(3):255-284.

. Bock F J, Kneppe H, Schneider. Rotational viscosity of nematic liquid crystals and their shear viscosity under flow alignment [J]. Liq. Cryst., 1986, 1(3):239-251.

. Van der Muulen J P, Zijlstra R J J. Physical properties of the nematic liquid crystal, APAPA: Discussion of the measured viscoelastic properties in relation to current theories [J]. Phys. B, 1985, 132(2):153-164.

. Urata S,Tsuzuki S,Takada A. Analysis of the intermolecular interactions between CH3OCH3, CF3OCH3, CF3OCF3, and CH2F2, CHF3 [J]. J. Comput. Chem., 2004, 25:447-459.

. Pestov S. Physical Properties of Liquid Crystals [M]. Berlin: Springer, 2003.

. Kirsch P, Bremer M. Nematic liquid crystals for active matrix displays: molecular design and synthesis [J]. Angew. Chem. Int. Ed., 2000, 39:4216-4235.

. Hird M. Fluorinated liquid crystals-properties and applications [J]. Chem. Soc. Rev., 2007, 36:2070-2095.

. Matsushita T, Koseki S. Theoretical study of mesogenic core structures of nematic liquid crystalline compounds [J]. J. Phys. Chem. B, 2005, 109:13493-13498.

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