title: Infrared spectroscopy of endohedral HD and D2 in C60.
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. Hüvonen, T. Rõõm, 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.
authors.affiliation: National Institute of Chemical Physics and Biophysics, Akadeemia tee 23, 12618 Tallinn, Estonia.
authors.forename: Min
authors.initials: M
authors.lastname: Ge
authors.forename: U
authors.initials: U
authors.lastname: Nagel
authors.forename: D
authors.initials: D
authors.lastname: Hüvonen
authors.forename: T
authors.initials: T
authors.lastname: Rõõm
authors.forename: S
authors.initials: S
authors.lastname: Mamone
authors.forename: M H
authors.initials: MH
authors.lastname: Levitt
authors.forename: M
authors.initials: M
authors.lastname: Carravetta
authors.forename: Y
authors.initials: Y
authors.lastname: Murata
authors.forename: K
authors.initials: K
authors.lastname: Komatsu
authors.forename: Xuegong
authors.initials: X
authors.lastname: Lei
authors.forename: N J
authors.initials: NJ
authors.lastname: Turro