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Krachmalnicoff, Adrea; Bounds, Richard; Mamone, Salvatore; Alom, Shamim; Concistre, Maria; Meier, Benno; Kouril, Karel; Light, Mark E.; Johnson, Mark R.; Rols, Stéphane; Horsewill, Anthony J.; Shugai, Anna; Nagel, Urmas; Rõõm, Toomas; Carravetta, Marina; Levitt, Malcolm H.; Whitby, Richard J. (2016)
Publisher: Nature Publishing Group
Languages: English
Types: Article
Subjects:

Classified by OpenAIRE into

arxiv: Physics::Atomic and Molecular Clusters
The cavity inside fullerenes provides a unique environment for the study of isolated atoms and molecules. We report encapsulation of hydrogen fluoride inside C60 using molecular surgery to give the endohedral fullerene HF@C60. The key synthetic step is the closure of the open fullerene cage while minimizing escape of HF. The encapsulated HF molecule moves freely inside the cage and exhibits quantization of its translational and rotational degrees of freedom, as revealed by inelastic neutron scattering and infrared spectroscopy. The rotational and vibrational constants of the encapsulated HF molecules were found to be redshifted relative to free HF. The NMR spectra display a large 1H-19F J coupling typical of an isolated species. The dipole moment of HF@C60 was estimated from the temperature-dependence of the dielectric constant at cryogenic temperatures and showed that the cage shields around 75% of the HF dipole.
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    • Levitt, M. H. Spectroscopy of light-molecule endofullerenes. Phil. Trans. Royal Soc. A 371,
    • Murata, M., Murata, Y. & Komatsu, K. Synthesis and properties of endohedral C60 encapsulating
    • molecular hydrogen. J. Am. Chem. Soc. 128, 8024 - 8033 (2006).
    • Kurotobi, K. & Murata, Y. A single molecule of water encapsulated in fullerene C60. Science
    • Krachmalnicoff, A., Levitt, M. H. & Whitby, R. J. An optimised scalable synthesis of H2O@C60
    • and a new synthesis of H2@C60. Chem. Commun. 50, 13037 - 13040 (2014).
    • fullerene C70 encapsulating two molecules of H2. J. Am. Chem. Soc. 130, 15800 - 15801 (2008).
    • Endohedral Aza[60]fullerenes: H O@C59N and H2@C59N as Their Dimers and Monomers. J. 2
    • Am. Chem. Soc. 138, 4096 - 4104 (2016)
    • Zhang, R. et al. Synthesis of a distinct water dimer inside fullerene C70. Nature Chem. 8, 435 -
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