Does Gd@C82 have an anomalous endohedral structure?: Synthesis and single crystal X-ray structure of the carbene adduct
Does Gd@C82 have an anomalous endohedral structure?: Synthesis and single crystal X-ray structure of the carbene adduct
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DOI：
10.1021/ja802156n
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发表时间：
2008-10-01
影响因子：
15
通讯作者：
Nagase, Shigeru
中科院分区：
文献类型：
--
作者：
Akasaka, Takeshi;Kono, Takayoshi;Nagase, Shigeru
本文报道了Gd@C-82卡宾加合物(Gd@C-82(Ad)，Ad=金刚烷)的单晶X射线晶体分析结果。Gd@C-82(Ad)中的Gd原子与M@C-82(M=Sc和La)和La@C-82(Ad)一样，位于C-2V-C-82笼状六角环附近的偏心位置。理论计算也证实了Gd原子在X射线晶体结构中的位置。
We report here the results on single crystal X-ray crystallographic analysis of the Gd@C-82 carbene adduct (Gd@C-82(Ad), Ad = adamantylidene). The Gd atom in Gd@C-82(Ad) is located at an off-centered position near a hexagonal ring in the C-2V-C-82 cage, as found for M@C-82 (M = Sc and La) and La@C-82(Ad). Theoretical calculation also confirms the position of the Gd atom in the X-ray crystal structure.