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题名: Sc3N@C68 : Folded Pentalene Coordination in an Endohedral Fullerene that Does Not Obey the Isolated Pentagon Rule
作者: Marilyn M. Olmstead;Lee, Hon Man;James C. Duchamp;Steven Stevenson;Daniela Marciu;Harry C. Dorn;Alan L. Balch
贡献者: 化學系
日期: 2003-02
上传时间: 2014-08-14T04:28:50Z
出版者: John Wiley & Sons, Inc.
摘要: Breaking the rule: The structure of Sc3N@C68⋅[NiII(OEP)]⋅2 C6H6 has been determined by single-crystal X-ray diffraction. The fullerene cage exists as an isomer with D3 symmetry (see picture), as initially predicted by density functional calculations. The scandium atoms are located over the centers of three pentalene units within the three-cornered carbon cage, which cannot obey the isolated pentagon rule. OEP=Octaethylporphyrinate.
關聯: Angewandte Chemie International Edition, 42(8): 900-903
显示于类别:[化學系] 期刊論文

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