通过超分子有机框架拓解基光多态的机色特性
Marcelo Echeverri1, Constanza Ruiz1, Sergio Gámez-Valenzuela2
1Multifunctional and Supramolecular Materials Group, Materials Science Factory, Instituto de Ciencia de Materiales de Madrid-Consejo Superior de Investigaciones Científicas (ICMM-CSIC), Sor Juana Inés de la Cruz 3, Cantoblanco, Madrid 28049, Spain.
Journal of the American Chemical Society
|September 11, 2020
概括
两种新的有机物质在应激或接触溶剂时会改变颜色. 这种机色行为与它们的晶体结构和超分子相互作用有关,为设计响应材料提供了洞察力.
科学领域:
- 材料科学
- 有机化学
- 晶体学
背景情况:
- 光电材料对于光电子应用至关重要.
- 有机化合物的多态性可以导致不同的物理性质.
- 响应刺激的材料提供可调节的功能.
研究的目的:
- 合成和表征4--7-4-非) [c][1,2,5]二亚的两个新型光多态.
- 研究这些多形体的机色特性和结构基础.
- 建立对刺激敏感的有机材料的结构属性关系.
主要方法:
- 用X射线结晶学来确定结构.
- 超分子有机框架拓 (SOFT) 分析
- 时间依赖密度函数理论 (TD-DFT) 的计算.
- 机械应力和溶剂蒸汽暴露的实验.
主要成果:
- 合成了两种多态 (1α和1β),表现出不同的颜色排放.
- 在应对剪切力和溶剂蒸汽时,观察到多态体之间的可逆机色相变.
- 每个多态体的SOFT研究显示出不同的拓网络 (mab和pcu),与由于变化的超分子相互作用而导致的结构变化相关.
- TD-DFT合理化了观察到的颜色变化.
结论:
- 机色行为归因于超分子相互作用和晶体拓的可逆变化.
- 建立了明确的SOFT属性关系,解释了响应刺激的颜色切换.
- 这些发现为设计基于超分子设计的可切换性质的新有机材料提供了基础.
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