Macrocycles for the complexation of radiocesium: a concise review of crystallographic and computational studies
Macrocycles for the complexation of radiocesium: a concise review of crystallographic and computational studies
复制标题
DOI：
10.1007/s10967-016-4968-1
复制
发表时间：
2017-02
影响因子：
1.6
通讯作者：
F. Pichierri
中科院分区：
文献类型：
--
作者：
F. Pichierri
本文综述了铯与不同类型大环化合物配合物的晶体学研究。分子结构的详细检查表明，几个铯-氧键的形成是必要的，以使大环捕获单个Cs+离子。在一些情况下，另外的相互作用如铯-芳烃和铯-氟相互作用可以单独或与上述化学键组合起作用。基于实验晶体结构的计算量子化学研究代表了一个有用的援助，用于阐明绑定的机制和明确的水分子在建立离子偶极相互作用或H-键与Cs+-大环配合物的作用。
We review the crystallographic studies concerned with the complexes between cesium and different types of macrocycles. A detailed examination of the molecular structures indicates that the formation of several cesium–oxygen bonds is necessary in order for the macrocyle to capture a single Cs+ion. In some cases, additional interactions such as cesium–arene and cesium–fluorine interactions may operate either alone or in combination with the above chemical bonds. Computational quantum chemistry studies based on experimental crystal structures represent a useful aid for elucidating the mechanism of binding and the role that explicit water molecules have in establishing ion–dipole interactions or H-bonds with the Cs+-macrocycle complex.