基于三化物组合的新合成液晶的物理和热特性
Fowzia S Alamro1, Hoda A Ahmed2, Mohamed A El-Atawy3,4
1Department of Chemistry, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia.
Materials (Basel, Switzerland)
|June 28, 2023
概括
新的三化液晶表现出优异的热稳定性和可预测的等态性质. 密度函数理论 (DFT) 的计算将量子化学参数与这些光学活性化合物的实验观测相关联.
科学领域:
- 材料科学 材料科学 材料科学
- 有机化学 有机化学
- 物理化学 物理化学
背景情况:
- 液晶 (LC) 在显示技术中至关重要.
- 三化物衍生物具有独特的电子和物理性能.
- 研究LC中的结构-属性关系是开发先进材料的关键.
研究的目的:
- 为了合成和描述基于酸的新型液晶.
- 为了评估它们的介质态稳定性和光学活性.
- 通过使用DFT,将实验发现与理论预测相关联.
主要方法:
- 合成 (E) -4 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 三甲基烯胺甲基烯4-基基酸化合物.
- 使用FT-IR,1HNMR,质谱和元素分析进行结构验证.
- 通过差分扫描热度计 (DSC) 和极化光学显微镜 (POM) 进行等比性属性分析.
- 使用密度函数理论 (DFT) 确定几何和热性质.
主要成果:
- 所有合成的化合物在广泛的温度范围内都表现出高热稳定性.
- 实验数据证实了研究化合物的平面几何形状.
- DFT计算成功地将量子化学参数与 mesophase 热稳定性,温度范围和类型联系起来.
结论:
- 新的三化液晶显示出有前途的中等形态行为和热稳定性.
- DFT是预测和理解液晶特性的一个有价值的工具.
- 该研究提供了对具有定制性质的新型液晶材料设计的见解.
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