Does Gd@C(82) have an anomalous endohedral structure? Synthesis and single crystal X-ray structure of the carbene adduct

作者：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

来源：Journal of the American Chemical Society, 2008, 130(39): 12840-+.

DOI：10.1021/ja802156n

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.

• 出版日期2008-10-1