金属富勒烯Sc₃N@C₇在晶体中旋转的相变过程被成功观察到，这一成果由德国莱布尼兹固态和材料研究所Fupin Liu、Alexey A. Popov、Stanislav M. Avdoshenko团队合作取得。 相关论文于2020年12月31日发表于国际顶尖学术期刊《美国化学会志》。

科研人员通过单晶X射线衍射确定了Sc₃N @ C_2v(7854)-C₇₀的分子结构。可变温度X射线衍射分析揭示了富勒烯笼在两个方向之间的温度驱动跳跃状旋转所形成的相变细节。而在较低温度的P21/c相中，富勒烯主要占据一个取向，而在较高温度的C2/m相中，富勒烯占据两个取向。

这项工作提供了一个金属富勒烯晶体中定义明确的有序-无序转变的罕见例子，因而对无序阻碍金属富勒烯结晶学的问题提供了重要见解。

附：英文原文

Title: Caught in Phase Transition: Snapshot of the Metallofullerene Sc3N@C70 Rotation in the Crystal

Author: Yajuan Hao, Yaofeng Wang, Vasilii Dubrovin, Stanislav M. Avdoshenko, Alexey A. Popov, Fupin Liu

Issue&Volume: December 31, 2020

Abstract: The molecular structure of Sc3N@C2v(7854)-C70 was determined by single-crystal X-ray diffraction. Variable-temperature X-ray diffraction analysis unraveled the details of the phase transition caused by the temperature-driven jumplike rotation of the fullerene cage between two orientations. Whereas in the lower-temperature P21/c phase the fullerene predominantly occupies one orientation, two orientations become equally occupied in the higher-temperature C2/m phase. This work provides a rare example of the well-defined order–disorder transition in metallofullerene crystals and thus gives important insight into the problem of disorder impeding metallofullerene crystallography.

DOI: 10.1021/jacs.0c10758

Source: https://pubs.acs.org/doi/10.1021/jacs.0c10758