Gd@C2v(9)-C82の分子構造

鈴木 光明; 盧 興; 佐藤 悟; 二川 秀史; 溝呂木 直美; Zdenek Slanina; 土屋 敬広; 永瀬 茂; 赤阪 健

doi:10.11494/kisoyuki.2011.0.174.0

22nd Symposium on Physical Organic Chemistry

Session ID : 1P056

DOI https://doi.org/10.11494/kisoyuki.2011.0.174.0

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Poster Session (The 1st day)

Molecular Structure of Gd@C_2v(9)-C₈₂

*Mitsuaki Suzuki, Xing Lu, Satoru Sato, Hidefumi Nikawa, Naomi Mizorogi, Slanina Zdenek, Takahiro Tsuchiya, Shigeru Nagase, Takeshi Akasaka

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Keywords: Endohedral metallofullerene, Cocrystal, Single-crystal X-ray structure analysis

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Abstract

X-ray analyses of the cocrystals of Gd@C_2v(9)-C₈₂ with nickel^II octaethylporphyrin (Ni^II(OEP)) reveal that the Gd3+ cation is off-center, being located under a hexagonal ring along the two-fold axis of the C_2v(9)-C₈₂ cage. Our result is in sharp contrast to that of a previous study, showing that Gd@C_2v(9)-C₈₂ has an anomalous endohedral structure with the metal being positioned over a [6,6]-bond, which is opposite the hexagonal ring along the C₂ axis (Phys. Rev. B 2004, 69, 113412.).

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