Metallohosts with a Heart of Carbon

Single-crystal X-ray diffraction studies have confirmed that Ni3S3-based molecular bowls prepared in one-pot reactions capture either CH2Cl2 or C60. The nature of the pendant substituents (naphthalen-2-ylmethyl, benzyl, or ethyl) around the rim of the bowl dictates the formation of a 1:1 (bowl host–C60 guest) or 2:1 (capsule host–C60 guest) architecture. In CDCl3, the trimeric complexes were found to be in equilibrium with dimeric analogues. For the naphthalen-2-ylmethyl-substituted host, NMR spectroscopic titration data confirmed a 1:1 host–C60 guest complex in 1,2-Cl2C6D4 solution.

单晶X射线衍射研究表明，通过一锅反应制备的基于Ni3S3的分子碗能够捕获CH2Cl2或C60。围绕碗缘的取代基（萘-2-基甲基、苄基或乙基）的性质决定了1:1（碗宿主-碳60客体）或2:1（胶囊宿主-碳60客体）结构的形成。在CDCl3中，三聚体复合物被发现与二聚体类似物处于平衡状态。对于萘-2-基甲基取代的宿主，核磁共振滴定光谱数据证实了在1,2-Cl2C6D4溶液中存在1:1的宿主-碳60客体复合物。