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Updated: Jan 28, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Isolation and structure determination of missing fullerenes Gd@C74(CF3) through in situ trifluoromethylation
Ayano Nakagawa1, Shinobu Aoyagi2, Haruka Omachi1,3
1Department of Chemistry, Graduate School of Science, Nagoya University, Nagoya 464-8602, Japan.
Abstract:
Our trifluoromethyl functionalization method enables the dissolution and isolation of missing metallofullerenes of Gd@C74(CF3) . 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 D 3 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.
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