Infrared spectroscopy of endohedral HD and D2 in C60
Infrared spectroscopy of endohedral HD and D2 in C60
We report on the dynamics of two hydrogen isotopomers, D-2 and HD, trapped in the molecular cages of a fullerene C-60 molecule. We measured the infrared spectra and analyzed them using a spherical potential for a vibrating rotor. The potential, vibration-rotation Hamiltonian, and dipole moment parameters are compared with previously studied H-2@C-60 parameters [M. Ge, U. Nagel, D. Hiivonen, T. Room, S. Mamone, M. H. Levitt, M. Carravetta, Y. Murata, K. Komatsu, J. Y.-C. Chen, and N. J. Turro, J. Chem. Phys. 134, 054507 (2011)]. The isotropic part of the potential is similar for all three isotopomers. In HD@C-60, we observe mixing of the rotational states and an interference effect of the dipole moment terms due to the displacement of the HD rotation center from the fullerene cage center
114511-114521
Ge, Min
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Nagel, U.
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Hüvonen, D.
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Rõõm, T.
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Mamone, S.
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Levitt, M. H.
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Carravetta, M.
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Murata, Y.
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Komatsu, K.
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Lei, Xuegong
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Turro, N. J.
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21 September 2011
Ge, Min
5abe646a-1912-456f-b898-828bbd0edc96
Nagel, U.
944a312f-5244-4b83-b3d3-e173b9534b23
Hüvonen, D.
42c5eddf-0bfe-49e3-8ad9-b7ea37110433
Rõõm, T.
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Mamone, S.
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Levitt, M. H.
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Carravetta, M.
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691
Murata, Y.
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Komatsu, K.
cad3039c-db95-4b83-a191-bb90fa0b213f
Lei, Xuegong
6a09bda7-2026-456b-bed7-3b0d31f9adb5
Turro, N. J.
c2d5430a-a5a8-4df8-9a05-46f8872b39f9
Ge, Min, Nagel, U., Hüvonen, D., Rõõm, T., Mamone, S., Levitt, M. H., Carravetta, M., Murata, Y., Komatsu, K., Lei, Xuegong and Turro, N. J.
(2011)
Infrared spectroscopy of endohedral HD and D2 in C60.
The Journal of Chemical Physics, 135 (11), .
(doi:10.1063/1.3637948).
(PMID:21950875)
Abstract
We report on the dynamics of two hydrogen isotopomers, D-2 and HD, trapped in the molecular cages of a fullerene C-60 molecule. We measured the infrared spectra and analyzed them using a spherical potential for a vibrating rotor. The potential, vibration-rotation Hamiltonian, and dipole moment parameters are compared with previously studied H-2@C-60 parameters [M. Ge, U. Nagel, D. Hiivonen, T. Room, S. Mamone, M. H. Levitt, M. Carravetta, Y. Murata, K. Komatsu, J. Y.-C. Chen, and N. J. Turro, J. Chem. Phys. 134, 054507 (2011)]. The isotropic part of the potential is similar for all three isotopomers. In HD@C-60, we observe mixing of the rotational states and an interference effect of the dipole moment terms due to the displacement of the HD rotation center from the fullerene cage center
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Published date: 21 September 2011
Organisations:
Magnetic Resonance
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Local EPrints ID: 347848
URI: http://eprints.soton.ac.uk/id/eprint/347848
ISSN: 0021-9606
PURE UUID: 18da0f7b-d4dc-4ddc-b4fa-b8321846214f
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Date deposited: 31 Jan 2013 14:13
Last modified: 15 Mar 2024 03:14
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Author:
Min Ge
Author:
U. Nagel
Author:
D. Hüvonen
Author:
T. Rõõm
Author:
S. Mamone
Author:
Y. Murata
Author:
K. Komatsu
Author:
Xuegong Lei
Author:
N. J. Turro
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