Experimental and theoretical studies of the scandium carbide endohedral metallofullerene Sc2C2@C82 and its carbene derivative

被引：105

作者：

Iiduka, Yuko

Wakahara, Takatsugu

Nakajima, Koji

Nakahodo, Tsukasa

Tsuchiya, Takahiro

Maeda, Yutaka

Akasaka, Takeshi ^{[1
]}

Yoza, Kenji

Liu, Michael T. H.

Mizorogi, Naomi

Nagase, Shigeru

机构：

[1] Univ Tsukuba, Ctr Tsukuba Adv Res Alliance, Tsukuba, Ibaraki 3058577, Japan

[2] Inst Mol Sci, Dept Theoret Mol Sci, Okazaki, Aichi 4448585, Japan

[3] Tokyo Gakugei Univ, Dept Chem, Koganei, Tokyo 1848501, Japan

[4] Bruker AXS KK, Yokohama, Kanagawa 2210022, Japan

[5] Univ Prince Edward Isl, Dept Chem, Charlottetown, PE C1A 4P3, Canada

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2007年 / 46卷 / 29期

关键词：

carbides; density functional calculations; fullerenes; scandium; structure elucidation;

D O I：

10.1002/anie.200701049

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

It's what's on the inside that counts: The structure of Sc 2C2@C82(III), as suggested by 13C NMR spectroscopy and density functional calculations (see picture, left; C red and gray, Sc blue), contains two Sc and two C atoms inside the C82 cage. This mode of encapsulation is verified by X-ray single-crystal analysis of the cycloadduct of Sc2C2@C82(III) and adamantylidene carbene (see picture, right). (Figure Presented) © 2007 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：5562 / 5564

页数：3

共 27 条

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