摘要
Steering the cluster configuration inside a fullerene cage has been one of most interesting topics in the field of fullerenes, since the physical property of a cluster fullerene may be modified accordingly. It has been well-recognized that the cluster configuration can be tuned via altering the cage size. Typically, the carbide cluster and the oxide cluster are experimentally seen to be curled up within a small fullerene cage whereas they are expanded in a large cage. In this work, a new oxide cluster fullerene Ho 2 O@C 2 (13333)-C 74 is prepared and isolated. The single-crystal X-ray diffraction (XRD) study reveals that the Ho 2 O cluster, however, expands within the small non-IPR cage of C 2 (13333)-C 74 with a Ho-O-Ho angle of >170°, indicating that cluster configuration is highly related to the cage shape and cage structure as well. The DFT computation demonstrates that the cluster-to-cage electron-transfer obviously enhances the aromaticity of the motif containing the fused-pentagon pair and hence stabilizes the non-IPR cage of C 2 (13333)-C 74 . In addition, the electrochemical and magnetic properties of Ho 2 O@C 2 (13333)-C 74 are studied to further investigate the effect of endohedral Ho 2 O cluster.
| 源语言 | 英语 |
|---|---|
| 页（从-至） | 4774-4781 |
| 页数 | 8 |
| 期刊 | Inorganic Chemistry |
| 卷 | 58 |
| 期 | 8 |
| DOI | |
| 出版状态 | 已出版 - 15 4月 2019 |
| 已对外发布 | 是 |