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Does Gd@C$$_{82}$$ have an anomalous endohedral structure? Synthesis and single crystal X-ray structure of the carbene adduct

Akasaka, Takeshi*; Kono, Takayoshi*; Takematsu, Yuji*; Nikawa, Hidefumi*; Nakahodo, Tsukasa*; Wakahara, Takatsugu*; Ishitsuka, Midori*; Tsuchiya, Takahiro*; Maeda, Yutaka*; Liu, M. T. H.*; Yoza, Kenji*; Kato, Tatsuhisa*; Yamamoto, Kazunori; Mizorogi, Naomi*; Slanina, Z.*; Nagase, Shigeru*

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 C2v-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.

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Category:Chemistry, Multidisciplinary

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