在共价有机框架COF-5的合成中,低晶度的微观起源
1Department of Chemistry , University of Utah , Salt Lake City , Utah 84112 , United States.
Journal of the American Chemical Society
|February 3, 2018
概括
协价有机框架 (COF) 通过旋转分解迅速形成,导致缺陷. 弱化的分子相互作用使COF-5晶体能够无缺陷生长.
科学领域:
- 材料科学
- 化学学
背景情况:
- 共价有机框架 (COF) 是由有机构建块制成的多孔晶体材料.
- 在COF合成中的一个关键挑战是实现长距离的顺序,典型的晶体域仅限于几十纳米.
研究的目的:
- 从稀释溶液中建模COF-5的组装动态.
- 了解COF合成中的结晶性限制因素.
主要方法:
- 对COF-5分子成分的计算建模.
- 模拟早期组装动态.
- 对分子间相互作用和组装途径的分析.
主要成果:
- 在典型条件下,COF-5的形成是通过旋分解而不是核化而发生的,导致许多缺陷.
- 芳香成分之间强烈的堆叠相互作用推动了这种快速,易受缺陷的组装.
- 减弱这些相互作用促进核化控制的生长,产生无缺陷的COF-5.
结论:
- 脊柱分解是COF合成缺陷的主要原因.
- 调节分子间相互作用提供了一种提高COF晶体质量的策略.
- 通过受控的核和生长可以实现无缺陷的COF-5.
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