Electronic Structure and Electron Transition of Banana-Shaped Liquid Crystals

CHEN Lan-li; TANG Zhong-ke

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Electronic Structure and Electron Transition of Banana-Shaped Liquid Crystals

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

- Electronic Structure and Electron Transition of Banana-Shaped Liquid Crystals
- Chinese Journal of Liquid Crystals and Displays Vol. 24, Issue 4, Pages: 478-481(2009)
- 作者机构：
  
  1. 南阳理工学院电子与电气工程系, 河南南阳 473004,E-mail: chenlanli@yahoo.com.cn
  2. 南阳理工学院机电工程系,河南南阳,473004
- 作者简介：
- 基金信息：
- DOI：
  CLC： O753.2;O631.1
- Received：23 January 2009，
  
  Revised：02 January 1900，
  
  Published Online：30 August 2009，
  
  Published：30 August 2009
- 稿件说明：
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陈兰莉;汤中科. 香蕉型液晶的电子结构计算和电激发特性[J]. 液晶与显示, 2009,24(04): 478-481

CHEN Lan-li;TANG Zhong-ke. Electronic Structure and Electron Transition of Banana-Shaped Liquid Crystals[J]. 液晶与显示, 2009,24(04): 478-481
陈兰莉;汤中科. 香蕉型液晶的电子结构计算和电激发特性[J]. 液晶与显示, 2009,24(04): 478-481 DOI：

CHEN Lan-li;TANG Zhong-ke. Electronic Structure and Electron Transition of Banana-Shaped Liquid Crystals[J]. 液晶与显示, 2009,24(04): 478-481 DOI：

摘要

用舒克紧束缚法计算了一种新型香蕉型液晶1

3-phenylene bis benzoate 的电子结构

结果表明: LUMO和HOMO的能量差别主要是受到香蕉型液晶的中心核、桥键(COO)的影响

而烷基尾对香蕉型液晶电子结构的影响不大;在6种可能跃迁中

只有能量最低的两种(

)在200~800 nm可见光范围内是经常发生的。对于这种香蕉型液晶

电子激发主要发生在4.0 eV (310 nm)和 1.7 eV (730 nm)处。

Abstract

The electronic structures of the banana-shaped liquid crystal 1

3-phenylene bis benzoate were calculated with Hckel tight-binding method. The effects of the central core

the linkages and the alkyl tails in the two-branched legs of the banana-shaped liquid crystal were discussed. Among the six transitions outlined

only the two lowest energy ones (

) are often achieved by the energies available in the 200~800 nm spectrum. Energetically favoured electron excitation will take place at 4.0 (310 nm) and 1.7 eV (730 nm)

respectively

for the studied molecule.

关键词

Keywords

references

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