Sc3N@C68: Folded pentalene coordination in an endohedral fullerene that does not obey the isolated pentagon rule

Marilyn M. Olmstead, Hon Man Lee, James C. Duchamp, Steven Stevenson, Daniela Marciu, Harry C. Dorn, Alan L. Balch

研究成果: Article

159 引文 (Scopus)

摘要

Breaking the rule: The structure of Sc3N@C68·[N11(OEP)] ·2C6H6 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.

原文English
頁(從 - 到)900-903
頁數4
期刊Angewandte Chemie - International Edition
42
發行號8
DOIs
出版狀態Published - 2003 二月 24

指紋

Scandium
Fullerenes
Isomers
Density functional theory
Carbon
Single crystals
X ray diffraction
Atoms

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

引用此文

Olmstead, Marilyn M. ; Lee, Hon Man ; Duchamp, James C. ; Stevenson, Steven ; Marciu, Daniela ; Dorn, Harry C. ; Balch, Alan L. / Sc3N@C68 : Folded pentalene coordination in an endohedral fullerene that does not obey the isolated pentagon rule. 於: Angewandte Chemie - International Edition. 2003 ; 卷 42, 編號 8. 頁 900-903.
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Sc3N@C68 : Folded pentalene coordination in an endohedral fullerene that does not obey the isolated pentagon rule. / Olmstead, Marilyn M.; Lee, Hon Man; Duchamp, James C.; Stevenson, Steven; Marciu, Daniela; Dorn, Harry C.; Balch, Alan L.

於: Angewandte Chemie - International Edition, 卷 42, 編號 8, 24.02.2003, p. 900-903.

研究成果: Article

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