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Coordination-driven assembly of actinide-organic polyrotaxanes involving crown ether macrocycles

机译：Coordination-driven组装actinide-organic涉及冠醚衍生物的重点

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摘要

Research on synthesizing new coordination-driven polyrotaxanes as well as regulating their structural diversity contributes to the success of macrocycle-based supramolecular materials. In this work, we describe the synthesis of a new kind of actinide-organic polyrotaxane involving crown ether macrocycles for the first time. Crystal structures of two uranyl polyrotaxane compounds, UCER-1 and UCER-2, as well as a third non-polyrotaxane compound UON-1, have been determined, and the formation mechanism of actinide-organic polyrotaxanes is discussed in terms of factors affecting the assembly process. A comparison of the reaction conditions and the corresponding outcomes suggests the necessity of a host-guest pseudorotaxane linker for the successful construction of targeted actinide-organic polyrotaxanes. The coordination of different coordination atoms, especially bromide ions and uranyl ions, is analyzed in detail through theoretical calculations. As an extension of cucurbituril-based uranyl-organic polyrotaxanes, the introduction of crown ether macrocycles as a new supramolecular element brings a different kind of actinide polyrotaxane with intriguing molecular structures and supramolecular assembly behaviours, and will, we believe, expand the research scope of actinide rotaxane coordination polymers.
机译：研究合成新的coordination-driven衍生物以及调节自己结构多样性有助于成功macrocycle-based的超分子材料。这项工作中,我们描述的合成一个新的种actinide-organic polyrotaxane涉及冠醚首次重点。两个polyrotaxane铀酰的晶体结构化合物,UCER-1 UCER-2以及三分之一non-polyrotaxane复合UON-1,确定,形成机制在讨论actinide-organic衍生物装配过程影响因素。反应条件和比较相应的结果显示的必要性的主-客体pseudorotaxane链接器成功的建设目标actinide-organic衍生物。不同的配位原子,特别是溴离子和铀酰离子进行了分析通过理论计算细节。延长cucurbituril-based uranyl-organic冠醚衍生物的介绍重点是一个新的超分子元素带来一种不同的锕系元素polyrotaxane与分子结构和有趣的超分子组装的行为和意志,我们相信,扩大研究范围的锕系元素rotaxane协调聚合物。

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