The dipolar endofullerene HF@C60
The dipolar endofullerene HF@C60
The cavity inside fullerenes provides a unique environment for the study of isolated atoms and molecules. We report the 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 with the escape of HF minimized. 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 1 H- 19 F 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.
953-957
Krachmalnicoff, Andrea
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Bounds, Richard
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Mamone, Salvatore
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Alom, Shamim
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Concistrè, Maria
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Meier, Benno
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Kouril, Karel
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Light, Mark E.
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Johnson, Mark R.
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Rols, Stéphane
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Horsewill, Anthony J.
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Shugai, Anna
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Nagel, Urmas
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Rõõm, Toomas
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Carravetta, Marina
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Levitt, Malcolm H.
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Whitby, Richard J.
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1 October 2016
Krachmalnicoff, Andrea
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Bounds, Richard
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Mamone, Salvatore
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Alom, Shamim
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Concistrè, Maria
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Meier, Benno
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Kouril, Karel
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Light, Mark E.
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Johnson, Mark R.
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Rols, Stéphane
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Horsewill, Anthony J.
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Shugai, Anna
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Nagel, Urmas
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Rõõm, Toomas
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Carravetta, Marina
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Levitt, Malcolm H.
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Whitby, Richard J.
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Krachmalnicoff, Andrea, Bounds, Richard, Mamone, Salvatore, Alom, Shamim, Concistrè, 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. and Whitby, Richard J.
(2016)
The dipolar endofullerene HF@C60.
Nature Chemistry, 8 (10), .
(doi:10.1038/nchem.2563).
Abstract
The cavity inside fullerenes provides a unique environment for the study of isolated atoms and molecules. We report the 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 with the escape of HF minimized. 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 1 H- 19 F 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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HF@C60_for_eprints.pdf
- Accepted Manuscript
More information
Submitted date: 15 November 2015
Accepted/In Press date: 25 May 2016
e-pub ahead of print date: 11 July 2016
Published date: 1 October 2016
Organisations:
Chemistry
Identifiers
Local EPrints ID: 399078
URI: http://eprints.soton.ac.uk/id/eprint/399078
ISSN: 1755-4330
PURE UUID: a4f2c2ef-d405-41ff-b17e-2eb3b97fc9d6
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Date deposited: 05 Aug 2016 08:13
Last modified: 22 Feb 2025 05:01
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Contributors
Author:
Andrea Krachmalnicoff
Author:
Richard Bounds
Author:
Salvatore Mamone
Author:
Shamim Alom
Author:
Maria Concistrè
Author:
Benno Meier
Author:
Karel Kouril
Author:
Mark R. Johnson
Author:
Stéphane Rols
Author:
Anthony J. Horsewill
Author:
Anna Shugai
Author:
Urmas Nagel
Author:
Toomas Rõõm
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