The hydrogen molecule dynamics in tetrahydrofuran-H2-H2O clathrate hydrate has been studied
by high-resolution inelastic neutron scattering and Raman light scattering. Several intense bands
in the neutron spectrum are observed that are due to H2 molecule excitations. These are rotational
transitions, center-of-mass translational transitions (rattling) of either para- or ortho-H2, and
combinations of rotations and center-of-mass transitions. The rattling of the H2 molecule is a
paradigmatic example of the motion of a quantum particle in a non-harmonic three-dimensional
potential well. Both the H2 rotational transition and the fundamental of the rattling transition split
into triplets. Raman spectra show a similar splitting of the S0(0) rotational transition, due to a
significant anisotropy of the potential with respect to the orientation of the molecule in the cage.
The comparison of our experimental values for the transition frequencies to a recent quantum
mechanical calculation gives qualitative agreement, but shows some significant difference.
| Identifer | oai:union.ndltd.org:LACETR/oai:collectionscanada.gc.ca:BVAU.2429/1054 |
| Date | 07 1900 |
| Creators | Ulivi, Lorenzo, Celli, Milva, Giannasi, Alessandra, Zoppi, Marco, Ramirez-Cuesta, A.J. |
| Source Sets | Library and Archives Canada ETDs Repository / Centre d'archives des thèses électroniques de Bibliothèque et Archives Canada |
| Language | English |
| Detected Language | English |
| Type | text |
| Rights | Ulivi, Lorenzo |
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