Abstract
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.
Original language | English |
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Pages (from-to) | 900-903 |
Number of pages | 4 |
Journal | Angewandte Chemie - International Edition |
Volume | 42 |
Issue number | 8 |
DOIs | |
Publication status | Published - 2003 Feb 24 |
All Science Journal Classification (ASJC) codes
- Chemistry(all)