Gd@C82是否具有异常的内嵌结构？卡宾加合物的合成与单晶X射线结构
Does Gd@C82 have an anomalous endohedral structure? Synthesis and single crystal X-ray structure of the carbene adduct.
作者信息
Akasaka Takeshi, Kono Takayoshi, Takematsu Yuji, Nikawa Hidefumi, Nakahodo Tsukasa, Wakahara Takatsugu, Ishitsuka Midori O, Tsuchiya Takahiro, Maeda Yutaka, Liu Michael T H, Yoza Kenji, Kato Tatsuhisa, Yamamoto Kazunori, Mizorogi Naomi, Slanina Zdenek, Nagase Shigeru
机构信息
Center for Tsukuba Advanced Research Alliance, University of Tsukuba, Tsukuba 305-8577, Japan.
出版信息
J Am Chem Soc. 2008 Oct 1;130(39):12840-1. doi: 10.1021/ja802156n. Epub 2008 Sep 9.
We report here the results on single crystal X-ray crystallographic analysis of the Gd@C82 carbene adduct (Gd@C82(Ad), Ad = adamantylidene). The Gd atom in Gd@C82(Ad) is located at an off-centered position near a hexagonal ring in the C2v-C82 cage, as found for M@C82 (M = Sc and La) and La@C82(Ad). Theoretical calculation also confirms the position of the Gd atom in the X-ray crystal structure.
我们在此报告Gd@C82卡宾加合物（Gd@C82(Ad)，Ad = 亚金刚烷基）的单晶X射线晶体学分析结果。Gd@C82(Ad)中的Gd原子位于C2v-C82笼中一个六元环附近的偏心位置，这与M@C82（M = Sc和La）及La@C82(Ad)的情况相同。理论计算也证实了X射线晶体结构中Gd原子的位置。
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