We report on the dynamics of two hydrogen isotopomers, D2 and HD, trapped in the molecular cages of a fullerene C60 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 H2@C 60 parameters [M. Ge, U. Nagel, D. Hvonen, T. Rm, 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)10.1063/1.3535598]. The isotropic part of the potential is similar for all three isotopomers. In HD@C60, 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. © 2011 American Institute of Physics.
Infrared spectroscopy of endohedral HD and D2 in C60
Mamone S.;
2011-01-01
Abstract
We report on the dynamics of two hydrogen isotopomers, D2 and HD, trapped in the molecular cages of a fullerene C60 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 H2@C 60 parameters [M. Ge, U. Nagel, D. Hvonen, T. Rm, 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)10.1063/1.3535598]. The isotropic part of the potential is similar for all three isotopomers. In HD@C60, 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. © 2011 American Institute of Physics.Pubblicazioni consigliate
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