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The dipolar endofullerene HF@C60


Andrea Krachmalnicoff

Richard Bounds

Salvatore Mamone

Shamim Alom


Benno Meier

Karel Kou?il

Mark E. Light

Mark R. Johnson


Anthony J. Horsewill

Anna Shugai

Urmas Nagel


Marina Carravetta

Malcolm H. Levitt

Richard J. Whitby


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.


Krachmalnicoff, A., Bounds, R., Mamone, S., Alom, S., Concistrè, M., Meier, B., …Whitby, R. J. (2016). The dipolar endofullerene HF@C60. Nature Chemistry, 8(10), 953-957.

Journal Article Type Article
Acceptance Date May 25, 2016
Online Publication Date Jul 11, 2016
Publication Date Oct 1, 2016
Deposit Date Jul 14, 2016
Publicly Available Date Jul 14, 2016
Journal Nature Chemistry
Print ISSN 1755-4330
Electronic ISSN 1755-4349
Publisher Nature Publishing Group
Peer Reviewed Peer Reviewed
Volume 8
Issue 10
Pages 953-957
Keywords General Chemistry; General Chemical Engineering
Public URL
Publisher URL
Additional Information Received: 15 November 2015; Accepted: 25 May 2016; First Online: 11 July 2016; : The authors declare no competing financial interests.


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