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 |
|---|---|
| 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 |
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All Science Journal Classification (ASJC) codes
- Chemistry(all)
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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.
In: Angewandte Chemie - International Edition, Vol. 42, No. 8, 24.02.2003, p. 900-903.Research output: Contribution to journal › Article
TY - JOUR
T1 - Sc3N@C68
T2 - Folded pentalene coordination in an endohedral fullerene that does not obey the isolated pentagon rule
AU - Olmstead, Marilyn M.
AU - Lee, Hon Man
AU - Duchamp, James C.
AU - Stevenson, Steven
AU - Marciu, Daniela
AU - Dorn, Harry C.
AU - Balch, Alan L.
PY - 2003/2/24
Y1 - 2003/2/24
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0037463075&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0037463075&partnerID=8YFLogxK
U2 - 10.1002/anie.200390237
DO - 10.1002/anie.200390237
M3 - Article
C2 - 12596171
AN - SCOPUS:0037463075
VL - 42
SP - 900
EP - 903
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
SN - 1433-7851
IS - 8
ER -