Isolation and structure determination of missing fullerenes Gd@C(74)(CF(3))(n) through in situ trifluoromethylation

Our trifluoromethyl functionalization method enables the dissolution and isolation of missing metallofullerenes of Gd@C(74)(CF(3))(n). After multi-stage high-performance liquid chromatography purification, Gd@C(74)(CF(3))(3) and two regioisomers of Gd@C(74)(CF(3)) are isolated. X-ray crystallographi...

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Detalles Bibliográficos
Autores principales: Nakagawa, Ayano, Aoyagi, Shinobu, Omachi, Haruka, Ishino, Katsuma, Nishino, Makiko, Rio, Jeremy, Ewels, Chris, Shinohara, Hisanori
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6170568/
https://www.ncbi.nlm.nih.gov/pubmed/30839731
http://dx.doi.org/10.1098/rsos.181015
Descripción
Sumario:Our trifluoromethyl functionalization method enables the dissolution and isolation of missing metallofullerenes of Gd@C(74)(CF(3))(n). After multi-stage high-performance liquid chromatography purification, Gd@C(74)(CF(3))(3) and two regioisomers of Gd@C(74)(CF(3)) are isolated. X-ray crystallographic analysis reveals that all of the isolated metallofullerenes react with CF(3) groups on pentagons of the D(3 h)-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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