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Crystallographic Evidence for Direct Metal–Metal Bonding in a Stable Open‐Shell La2@Ih‐C80 Derivative |
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| Authors: | Lipiao Bao Dr Muqing Chen Changwang Pan Takahisa Yamaguchi Prof Tatsuhisa Kato Prof Marilyn M Olmstead Prof Alan L Balch Prof Takeshi Akasaka Prof Xing Lu |
| Institution: | 1. State Key Laboratory of Materials Processing and Die and Mold Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology, Wuhan, P.R. China;2. Graduate School of Human and Environmental Sciences, Kyoto University, Kyoto, Japan;3. Institute for Liberal Arts and Sciences, Kyoto University, Kyoto, Japan;4. Department of Chemistry, University of California, Davis, Davis, CA, USA;5. Foundation for Advancement of International Science, Tsukuba, Japan |
| Abstract: | Endohedral metallofullerenes (EMFs) have novel structures and properties that are closely associated with the internal metallic species. Benzyl radical additions have been previously shown to form closed‐shell adducts by attaching an odd number of addends to open‐shell EMFs (such as Sc3C2@Ih‐C80) whereas an even number of groups are added to closed‐shell EMFs (for example Sc3N@Ih‐C80). Herein we report that benzyl radical addition to the closed‐shell La2@Ih‐C80 forms a stable, open‐shell monoadduct instead of the anticipated closed‐shell bisadduct. Single‐crystal X‐ray diffraction results show the formation of a stable radical species. In this species, the La?La distance is comparable to the theoretical value of a La?La covalent bond and is shorter than reported values for other La2@Ih‐C80 derivatives, providing unambiguous evidence for the formation of direct La?La bond. |
| Keywords: | density functional calculations endohedral fullerenes metal– metal bonding radical reactions structure elucidation |