Nearly free quantum rotations of ammonia groups in Ni-Ni-Bz(d6) Hofmann clathrate
- 9 April 1990
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 2 (14) , 3177-3185
- https://doi.org/10.1088/0953-8984/2/14/003
Abstract
In the inelastic neutron scattering spectra of Ni-Ni-Bz(d6) obtained at 1.8 K the authors observed transitions differing only slightly, but systematically, from those between uniaxial free rotator levels of ammonia groups. They interpreted the deviations as the influence of a weak hindering potential. A twelve-fold cosine potential with a barrier height V12 of 16+or-3 meV together with a rotational constant of 0.71+or-0.02 meV for NH3 gave a satisfactory description of the experimental results. Spectra obtained at higher temperatures (up to 51 K) showed qualitatively the transition from quantum to classical behaviour.Keywords
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