The solid-state structures of seven solvates of C₆₀ (C₆₀·4tetrachloroethylene, C₆₀·2tetrachloroethylene, C₆₀·3benzene, C₆₀·n-pentane, C₆₀·diethyl ether, C₆₀·chlorobenzene, and C₆₀·benzene·dichloromethane) were determined by single-crystal X-ray diffraction at low temperature. At 90 K, the fullerene and solvate components are generally well-ordered and do not show the orientational disorder that plagues similar structures determined at room temperature. Interactions between the solvate molecules and the fullerene and between adjacent C₆₀ molecules were examined and analyzed. Van der Waals and weak charge-transfer interactions are important to help to organize the individual components in these structures. The weak Lewis acid behavior of C₆₀, such as when it cocrystallizes with diethyl ether or chlorinated solvents, is apparent. In addition, π-stacking interactions are prevalent. The solvates of C₆₀ reported here were frequently obtained from attempts to cocrystallize C₆₀ with another chemical compound. Although the desired cocrystals were never formed, the unincorporated molecules influenced solvate formation.

中文翻译：

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C ₆₀的溶剂化晶体的单晶X射线衍射研究揭示了组成分子之间的分子间相互作用。

C ₆₀（C ₆₀ ·4四氯乙烯，C ₆₀ ·2四氯乙烯，C ₆₀ ·3苯，C ₆₀ ·正戊烷，C ₆₀ ·乙醚，C ₆₀ ·氯苯和C ₆₀ ·苯的七个溶剂化物的固态结构·二氯甲烷）是在低温下通过单晶X射线衍射测定的。在90 K时，富勒烯和溶剂化物的成分通常排列得井井有条，不会表现出困扰室温下确定的相似结构的取向紊乱。溶剂化物分子与富勒烯之间以及相邻的C ₆₀之间的相互作用检查并分析了分子。Van der Waals和弱的电荷转移相互作用对于帮助组织这些结构中的各个组成部分非常重要。显而易见的是C ₆₀的弱路易斯酸行为，例如当它与乙醚或氯化溶剂共结晶时。另外，π-堆积相互作用是普遍的。此处报道的C ₆₀的溶剂化物通常是通过将C ₆₀与另一种化合物共结晶的尝试而获得的。尽管从未形成所需的共晶体，但未结合的分子影响了溶剂合物的形成。