美国罗格斯大学Jianyuan Zhang研究组报道了多组分反应中金属富勒类的意外形成，并对团簇运动进行了晶体学和计算研究。相关论文发表在2021年9月24日出版的《德国应用化学》杂志上。

研究人员利用新的多组分反应包括异氰化物、端链或内链炔烃和内面体金属富勒烯(EMF) Lu3N@C80，生成金属富勒烯，并通过质谱、高效液相色谱和多重1D和2D NMR技术进行表征。单晶研究表明，酮烯胺类金属富勒烯具有有序的Lu3N簇，这对EMF单加合物来说是不寻常的。

基于晶体学数据进行计算分析，课题组证实了外表面有机附件的位置控制了内面体簇的运动。他们的发现为电磁场提供了一种新的功能化反应，并为在相对较高的温度下冻结内面体簇运动提供了一种潜在的简便方法。

附：英文原文

Title: Unexpected Formation of Metallofulleroids from Multicomponent Reactions, with Crystallographic and Computational Studies of the Cluster Motion

Author: Yanbang Li, Thomas J. Emge, Antonio Moreno-Vicente, William P. Kopcha, Yue Sun, Iram F. Mansoor, Mark C. Lipke, Gene S. Hall, Josep M. Poblet, Antonio Rodrí, Jianyuan Zhang

Issue&Volume: 2021-09-24

Abstract: New multicomponent reactions involving an isocyanide, terminal or internal alkynes, and endohedral metallofullerene (EMF) Lu  3  N@C  80  yield metallofulleroids which are characterized by mass-spectrometry, HPLC, and multiple 1D and 2D NMR techniques. Single crystal studies revealed one ketenimine metallofulleroid has ordered Lu  3  N cluster which is unusual for EMF monoadducts. Computational analysis, based on crystallographic data, confirm that the endohedral cluster motion is controlled by the position of the exohedral organic appendants. Our findings provide a new functionalization reaction for EMFs, and a potential facile approach to freeze the endohedral cluster motion at relatively high temperatures.

DOI: 10.1002/anie.202110881

Source: https://onlinelibrary.wiley.com/doi/10.1002/anie.202110881