Rovibrational Motion of CO in Solid C60

Holleman, I.; von Helden, G.; Olthof, E. H. T.; van Bentum, P. J. M.; Engeln, R.; Nachtegaal, G. H.; Kentgens, A. P. M.; Meier, B. H.; van der Avoird, A.; Meijer, Gerard

doi:10.1103/PhysRevLett.79.1138

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Rovibrational Motion of CO in Solid C₆₀

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Citation

Holleman, I., von Helden, G., Olthof, E. H. T., van Bentum, P. J. M., Engeln, R., Nachtegaal, G. H., et al. (1997). Rovibrational Motion of CO in Solid C₆₀. Physical Review Letters, 79(6), 1138-1141. doi:10.1103/PhysRevLett.79.1138.

Cite as: https://hdl.handle.net/21.11116/0000-000B-660F-3

Abstract

Solid C₆₀ can be intercalated with CO gas in a 1:1 ratio. The rovibrational motion of CO in these samples is studied as a function of temperature by IR and NMR spectroscopy. The observed spectra indicate a gradual transition from nearly free motion of CO at room temperature to hindered motion at low temperature, with only tunneling between symmetry equivalent orientations remaining. The observations are augmented by theory, and details on the local environment of the CO molecules are extracted.