Max Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart, Germany.
J Am Chem Soc. 2010 Dec 8;132(48):17099-101. doi: 10.1021/ja108470p. Epub 2010 Nov 11.
The stability of all fullerenes (closed carbon cages composed of pentagons and hexagons) can be explained by a simple empirical rule that forbids direct pentagon pentagon junctions (the isolated pentagon rule). Among thousands of possible fullerene structures, only one was predicted to violate this rule, namely, C2v-symmetric (#11188)C72. In this work, we present the synthesis and isolation of this elusive fullerene cage for the first time. The C2v-C72 cage was captured by in situ chlorination to form C72Cl4, whose structure was unambiguously determined by single-crystal X-ray analysis. The chlorination pattern and resulting stability of C72Cl4 are discussed.
所有富勒烯（由五边形和六边形组成的封闭碳笼）的稳定性都可以用一个简单的经验规则来解释，该规则禁止直接的五边形五边形连接（孤立五边形规则）。在数千种可能的富勒烯结构中，只有一种被预测违反了这条规则，即 C2v 对称（#11188）C72。在这项工作中，我们首次合成并分离出这种难以捉摸的富勒烯笼。C2v-C72 笼通过原位氯化形成 C72Cl4，其结构通过单晶 X 射线分析得到明确确定。讨论了 C72Cl4 的氯化模式和稳定性。
