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Rotor in a cage: infrared spectroscopy of an endohedral hydrogen-fullerene complex

Rotor in a cage: infrared spectroscopy of an endohedral hydrogen-fullerene complex
Rotor in a cage: infrared spectroscopy of an endohedral hydrogen-fullerene complex
We report the observation of quantized translational and rotational motion of molecular hydrogen inside the cages of C60. Narrow infrared absorption lines at the temperature of 6 K correspond to vibrational excitations in combination with translational and rotational excitations and show well-resolved splittings due to the coupling between translational and rotational modes of the endohedral H2 molecule. A theoretical model shows that H2 inside C60 is a three-dimensional quantum rotor moving in a nearly spherical potential. The theory provides both the frequencies and the intensities of the observed infrared transitions. Good agreement with the experimental results is obtained by fitting a small number of empirical parameters to describe the confining potential, as well as the relative concentration of ortho- and para-H2.
excited states, fullerenes, hydrogen neutral molecules, infrared spectra, rotational states, spectral line intensity, translational states, vibrational states
0021-9606
081103-[4pp]
Mamone, S.
b4a7783d-af9c-482a-afde-a77a06460b4b
Ge, Min
5abe646a-1912-456f-b898-828bbd0edc96
Hüvonen, D.
e26ed568-bac8-475a-9d53-9809b5617939
Nagel, U.
944a312f-5244-4b83-b3d3-e173b9534b23
Danquigny, A.
e13a0772-03be-4d76-8eb1-9a2c75f1f045
Cuda, F.
8c738a55-70a8-4063-b063-bf83cdf0f270
Grossel, M.C.
403bf3ff-6364-44e9-ab46-52d84c6f0d56
Murata, Y.
60965676-5251-4502-bde1-fb34b1bda592
Komatsu, K.
cad3039c-db95-4b83-a191-bb90fa0b213f
Levitt, M.H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Rõõm, T.
5d87213d-c0cb-4a9b-b9c8-96b63bbca59b
Carravetta, M.
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691
Mamone, S.
b4a7783d-af9c-482a-afde-a77a06460b4b
Ge, Min
5abe646a-1912-456f-b898-828bbd0edc96
Hüvonen, D.
e26ed568-bac8-475a-9d53-9809b5617939
Nagel, U.
944a312f-5244-4b83-b3d3-e173b9534b23
Danquigny, A.
e13a0772-03be-4d76-8eb1-9a2c75f1f045
Cuda, F.
8c738a55-70a8-4063-b063-bf83cdf0f270
Grossel, M.C.
403bf3ff-6364-44e9-ab46-52d84c6f0d56
Murata, Y.
60965676-5251-4502-bde1-fb34b1bda592
Komatsu, K.
cad3039c-db95-4b83-a191-bb90fa0b213f
Levitt, M.H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Rõõm, T.
5d87213d-c0cb-4a9b-b9c8-96b63bbca59b
Carravetta, M.
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691

Mamone, S., Ge, Min, Hüvonen, D., Nagel, U., Danquigny, A., Cuda, F., Grossel, M.C., Murata, Y., Komatsu, K., Levitt, M.H., Rõõm, T. and Carravetta, M. (2009) Rotor in a cage: infrared spectroscopy of an endohedral hydrogen-fullerene complex. The Journal of Chemical Physics, 130 (8), 081103-[4pp]. (doi:10.1063/1.3080163). (PMID:19256588)

Record type: Article

Abstract

We report the observation of quantized translational and rotational motion of molecular hydrogen inside the cages of C60. Narrow infrared absorption lines at the temperature of 6 K correspond to vibrational excitations in combination with translational and rotational excitations and show well-resolved splittings due to the coupling between translational and rotational modes of the endohedral H2 molecule. A theoretical model shows that H2 inside C60 is a three-dimensional quantum rotor moving in a nearly spherical potential. The theory provides both the frequencies and the intensities of the observed infrared transitions. Good agreement with the experimental results is obtained by fitting a small number of empirical parameters to describe the confining potential, as well as the relative concentration of ortho- and para-H2.

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Published date: 25 February 2009
Keywords: excited states, fullerenes, hydrogen neutral molecules, infrared spectra, rotational states, spectral line intensity, translational states, vibrational states
Organisations: Chemistry

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Local EPrints ID: 145533
URI: http://eprints.soton.ac.uk/id/eprint/145533
ISSN: 0021-9606
PURE UUID: aaae83e8-c6af-42fd-8ec7-45258e698e5d
ORCID for M.C. Grossel: ORCID iD orcid.org/0000-0001-7469-6854
ORCID for M.H. Levitt: ORCID iD orcid.org/0000-0001-9878-1180
ORCID for M. Carravetta: ORCID iD orcid.org/0000-0002-6296-2104

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Date deposited: 19 Apr 2010 10:34
Last modified: 29 Oct 2019 02:07

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Contributors

Author: S. Mamone
Author: Min Ge
Author: D. Hüvonen
Author: U. Nagel
Author: A. Danquigny
Author: F. Cuda
Author: M.C. Grossel ORCID iD
Author: Y. Murata
Author: K. Komatsu
Author: M.H. Levitt ORCID iD
Author: T. Rõõm
Author: M. Carravetta ORCID iD

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