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- W4205655596 abstract "This chapter focuses on the development of theoretical models that can be used to determine the infrared absorption spectra of NH 3 or CH 4 molecules isolated in the nanocages of clathrates, at very low temperatures. The substitution model used for the infrared spectroscopy of trapped species in a rare gas matrix was extended to nanocages trapping the studied molecule, such as HCl, CO, CO 2 , N 2 O, O 3 , NH 3 , ND 3 , CH 4 and CH 3 F, using the methods developed in the group theory. The rotational and centrifugal distortion constants of the molecule in the gas phase depend on the vibrational state of the molecule. Schrodinger's equation associated with the orientational Hamiltonian must therefore be solved for each vibrational state involved in a transition. In small and large cages of the sI structure, the CH 4 molecule accepts a position that is slightly off-center with respect to the center of the cages and can have translational motions of quite high amplitudes." @default.
- W4205655596 created "2022-01-25" @default.
- W4205655596 date "2021-09-24" @default.
- W4205655596 modified "2023-09-30" @default.
- W4205655596 title "Nanocages of Hydrate Clathrates" @default.
- W4205655596 doi "https://doi.org/10.1002/9781119865988.ch4" @default.
- W4205655596 hasPublicationYear "2021" @default.
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