The dipolar endofullerene HF@C60

Krachmalnikoff, Andrea and Bounds, Richard and Mamone, Salvatore and Alom, Shamim and Concistrè, Maria and Meier, Benno and Kouřil, Karel and Light, Mark and Johnson, Mark R. and Rols, Stéphane and Horsewill, Anthony J. and Shugai, Anna and Nagel, Urmas and Rõõm, Toomas and Carravetta, Marina and Levitt, Malcolm H. and Whitby, Richard J. (2016) The dipolar endofullerene HF@C60. Nature Chemistry . ISSN 1755-4349

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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.

Item Type: Article
Schools/Departments: University of Nottingham UK Campus > Faculty of Science > School of Physics and Astronomy
Identification Number:
Depositing User: Horsewill, Professor Anthony
Date Deposited: 14 Jul 2016 14:38
Last Modified: 14 Sep 2016 10:14

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