title: The dipolar endofullerene HF@C60.
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.
authors.affiliation: Chemistry, University of Southampton, Southampton SO17 1BJ, UK.
authors.forename: Andrea
authors.initials: A
authors.lastname: Krachmalnicoff
authors.affiliation: Chemistry, University of Southampton, Southampton SO17 1BJ, UK.
authors.forename: Richard
authors.initials: R
authors.lastname: Bounds
authors.affiliation: School of Physics and Astronomy, University of Nottingham, Nottingham NG7 2RD, UK.
authors.forename: Salvatore
authors.initials: S
authors.lastname: Mamone
authors.affiliation: Chemistry, University of Southampton, Southampton SO17 1BJ, UK.
authors.forename: Shamim
authors.initials: S
authors.lastname: Alom
authors.affiliation: Chemistry, University of Southampton, Southampton SO17 1BJ, UK.
authors.forename: Maria
authors.initials: M
authors.lastname: Concistrè
authors.affiliation: Chemistry, University of Southampton, Southampton SO17 1BJ, UK.
authors.forename: Benno
authors.initials: B
authors.lastname: Meier
authors.affiliation: Chemistry, University of Southampton, Southampton SO17 1BJ, UK.
authors.forename: Karel
authors.initials: K
authors.lastname: Kouřil
authors.affiliation: Chemistry, University of Southampton, Southampton SO17 1BJ, UK.
authors.forename: Mark E
authors.identifier: 0000-0002-0585-0843
authors.initials: ME
authors.lastname: Light
authors.affiliation: Institut Laue-Langevin, CS 20156, 38042 Grenoble, France.
authors.forename: Mark R
authors.initials: MR
authors.lastname: Johnson
authors.affiliation: Institut Laue-Langevin, CS 20156, 38042 Grenoble, France.
authors.forename: Stéphane
authors.initials: S
authors.lastname: Rols
authors.affiliation: School of Physics and Astronomy, University of Nottingham, Nottingham NG7 2RD, UK.
authors.forename: Anthony J
authors.initials: AJ
authors.lastname: Horsewill
authors.affiliation: National Institute of Chemical Physics and Biophysics, Akadeemia Tee 23, Tallinn 12618, Estonia.
authors.forename: Anna
authors.initials: A
authors.lastname: Shugai
authors.affiliation: National Institute of Chemical Physics and Biophysics, Akadeemia Tee 23, Tallinn 12618, Estonia.
authors.forename: Urmas
authors.initials: U
authors.lastname: Nagel
authors.affiliation: National Institute of Chemical Physics and Biophysics, Akadeemia Tee 23, Tallinn 12618, Estonia.
authors.forename: Toomas
authors.initials: T
authors.lastname: Rõõm
authors.affiliation: Chemistry, University of Southampton, Southampton SO17 1BJ, UK.
authors.forename: Marina
authors.initials: M
authors.lastname: Carravetta
authors.affiliation: Chemistry, University of Southampton, Southampton SO17 1BJ, UK.
authors.forename: Malcolm H
authors.identifier: 0000-0001-9878-1180
authors.initials: MH
authors.lastname: Levitt
authors.affiliation: Chemistry, University of Southampton, Southampton SO17 1BJ, UK.
authors.forename: Richard J
authors.identifier: 0000-0002-9891-5502
authors.initials: RJ
authors.lastname: Whitby