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Updated: Sep 2, 2025

Isolating Free Carbenes, their Mixed Dimers and Organic Radicals
Published on: April 19, 2019
Stabilities, Geometries, Electronic Structures, and Conversion Rules of Carbide Cluster Metallofullerenes
Jun He1, Mengyang Li1,2, Wenxin Zhang1
1Institute of Molecular Science & Applied Chemistry, School of Chemistry, State Key Laboratory of Electrical Insulation and Power Equipment & MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, Xi'an Jiaotong University, Xi'an, 710049, China.
Abstract:
Since the discovery of the first carbide cluster metallofullerene (CCMF) Sc2 C2 @C84 in 2001, CCMFs have attracted great concerns with variable structures and fascinating characteristics. To date, there are hundreds of studies on CCMFs. Crystallography studies on CCMFs are carried out by single-crystal X-ray diffraction. Theoretical calculations can also be used to study CCMFs in detail without being limited by low experimental yields. This review analyzes the stability of CCMFs reported previously, and indicates that the C2 unit contributes a lot to their stability. At the same time, the relationship between the structures of inner carbide cluster and cage size is systematically discussed, and the four-electron transfer always occurs. Furthermore, the possible transformation rule between di-EMFs and CCMFs is indicated. Finally, an outlook regarding the future developments and applications of CCMFs is presented.
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