Isolation and structure determination of missing fullerenes Gd@C74(CF3)n through in situ trifluoromethylation
| Autor: | Nakagawa, Ayano, Aoyagi, Shinobu, Omachi, Haruka, Ishino, Katsuma, Nishino, Makiko, Rio, Jeremy, Ewels, Chris, Shinohara, Hisanori |
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| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: | |
| Zdroj: | Royal Society Open Science Royal Society Open Science, Vol 5, Iss 9 (2018) |
| ISSN: | 2054-5703 |
| Popis: | Our trifluoromethyl functionalization method enables the dissolution and isolation of missing metallofullerenes of Gd@C74(CF3)n. After multi-stage high-performance liquid chromatography purification, Gd@C74(CF3)3 and two regioisomers of Gd@C74(CF3) are isolated. X-ray crystallographic analysis reveals that all of the isolated metallofullerenes react with CF3 groups on pentagons of the D3 h-symmetry C74 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. |
| Databáze: | OpenAIRE |
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