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An infrared study on CO intercalated in solid C60

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Citation

Holleman, I., von Helden, G., van der Avoird, A., & Meijer, G. (1999). An infrared study on CO intercalated in solid C60. The Journal of Chemical Physics, 110(4), 2129-2139. doi:10.1063/1.477822.


Cite as: https://hdl.handle.net/21.11116/0000-000B-65F4-0
Abstract
The infrared (IR) absorbance spectra of CO intercalated in solid C60 have been measured as a function of temperature. The spectra show a gradual transition from a nearly free rotation of the CO molecules to a situation where their rotational motion is severely hindered. The hindering of the rotational motion of CO caused by the surrounding C60 molecules is found to be comparable to that observed for CO dissolved in a liquid. Good agreement is found between quantum mechanically calculated spectra and the measured IR spectra. The intermolecular van der Waals vibrations of a CO molecule rattling in the octahedral site of the C60 lattice have been observed at low temperatures. The IR spectra of CO intercalated in C70 are measured and compared to those observed for CO intercalated in C60.