通过对虚拟组合图书馆进行选,识别异构Pd6L6协调
Sylvain Sudan1, Ru-Jin Li1, Suzanne M Jansze1
1Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland.
Journal of the American Chemical Society
|January 21, 2021
概括
研究人员开发了一种新的选择方法来创建复杂的协调. 这种方法成功地识别出一种独特的六核与两个不同的二氧化连接体,展示了一个新的结构图案.
科学领域:
- 超分子化学
- 协调化学
- 材料科学
背景情况:
- 设计结构定义的异构协调是复杂的.
- 目前已知这种子的例子很少.
- 复合物是超分子化学中的通用构件.
研究的目的:
- 开发一种新的选择方法来识别异构协调.
- 合成和描述一个新的六核.
- 探索基于的协调组件的结构多样性.
主要方法:
- 准备一个虚拟的组合图书馆的二复合物.
- 使用先进技术分析反应混合物.
- 通过单晶X射线衍射进行向合成和结构阐明.
主要成果:
- 一个新型异构六核细胞的识别, [Pd6L6L'6]
- 子呈现出前所未有的三角形-反 prismatic 结构.
- 两个截然不同的三角形Pd3L3宏循环由六个L'连接.
- 一个更大的相关子用金属子合成.
结论:
- 开发的选择方法对于发现复杂的协调是有效的.
- 这种新型的子代表了超分子化学的重大进步.
- 这项研究为设计复杂的分子结构开辟了新的途径.
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