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Nakagawa, A., Aoyagi, S., Omachi, H., Ishino, K., Nishino, M., Rio, J., Ewels, C. & Shinohara, H. (2018) Isolation and structure determination of missing fullerenes Gd@C-74(CF3)(n) through in situ trifluoromethylation. Royal Society Open Science, 5 181015.
Added by: Richard Baschera (2018-12-19 09:41:04) Last edited by: Richard Baschera (2018-12-19 09:48:25) |
| Type de référence: Article DOI: 10.1098/rsos.181015 Clé BibTeX: Nakagawa2018a Voir tous les détails bibliographiques  |
Catégories: INTERNATIONAL, PMN Créateurs: Aoyagi, Ewels, Ishino, Nakagawa, Nishino, Omachi, Rio, Shinohara Collection: Royal Society Open Science |
Consultations : 1/354
Indice de consultation : 4% Indice de popularité : 1% |
| Résumé |
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Our trifluoromethyl functionalization method enables the dissolution and isolation of missing metallofullerenes of Gd@C-74(CF3)(n). After multi-stage high-performance liquid chromatography purification, Gd@C-74(CF3)(3) and two regioisomers of Gd@C-74(CF3)( )are isolated. X-ray crystallographic analysis reveals that all of the isolated metallofullerenes react with CF3 groups on pentagons of the D-3h-symmetry C-74 cages. Highest occupied molecular orbital-lowest unoccupied molecular orbital gaps of these trifluoromethylated derivatives, estimated by absorption spectra, are in the range 0.71-1.06 eV, consistent with density functional calculations.
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