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Ю. М. Шульга, В. М. Мартыненко, С. А. Баскаков, Е. М. Анохин, А. В. Максимычев, Г. Л. Гуцев, Д. В. Щур
«О состоянии молекулы СН4 в октапоре фуллерита С60»
723–729 (2012)

PACS numbers: 61.05.Qr, 61.48.De, 76.60.-k, 78.30.Na, 81.05.ub, 82.56.-b, 88.30.R-

The fullerite intercalated with methane (CH4)0.56C60 is fabricated from a solution by the low-temperature deposition method. As revealed, the transition of methane molecule from the gaseous phase to the octahedral pores of fullerite is accompanied with ‘flushing’ of normal oscillations (by 19 and 8 cm?1 for ?3 and ?4 vibrations). In the 13C-NMR spectrum, under suppression of methane interaction with protons, methane manifests itself as a single peak with a maximum at ?0.42 ppm that is 10 ppm above the position of this peak of methane in the gaseous phase. The quantum-chemical calculations show that the formation of СН4•С60 associates in the gaseous phase is unfavourable by energy at any mutual orientation of the CH4 and C60 molecules.