Can a metal-metal bond hop in the fullerene cage?

Tao Yang; Xiang Zhao; Eiji Osawa

doi:10.1002/chem.201101233

Can a metal-metal bond hop in the fullerene cage?

Tao Yang
, Xiang Zhao
, Eiji Osawa

物理学院

Xi'an Jiaotong University
Shinshu University

科研成果: 期刊稿件 › 文章 › 同行评审

56 引用（Scopus）

摘要

Metal-metal bonds: Quantum chemical computation combined with statistical mechanics treatment on the endohedral metallofullerene Lu₂@C ₇₆ reveal an unprecedented single metal-metal bond which hops rapidly among six equivalent configurations, giving rise to a tetrahedral trajectory in the T_d-symmetric cage (see figure).

源语言	英语
页（从-至）	10230-10234
页数	5
期刊	Chemistry - A European Journal
卷	17
期	37
DOI	https://doi.org/10.1002/chem.201101233
出版状态	已出版 - 5 9月 2011

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10.1002/chem.201101233

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链接到 Scopus 的出版物

引用此

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title = "Can a metal-metal bond hop in the fullerene cage?",

abstract = "Metal-metal bonds: Quantum chemical computation combined with statistical mechanics treatment on the endohedral metallofullerene Lu2@C 76 reveal an unprecedented single metal-metal bond which hops rapidly among six equivalent configurations, giving rise to a tetrahedral trajectory in the Td-symmetric cage (see figure).",

keywords = "density functional calculations, fullerenes, lutetium, metal-metal interactions, thermodynamic stability",

author = "Tao Yang and Xiang Zhao and Eiji Osawa",

year = "2011",

month = sep,

day = "5",

doi = "10.1002/chem.201101233",

language = "英语",

volume = "17",

pages = "10230--10234",

journal = "Chemistry - A European Journal",

issn = "0947-6539",