NH3 on the MgO{100} surface: spectroscopic evidence of coupled internal and centre of mass quantum rotation
✍ Scribed by M. Havighorst; M. Prager; G. Coddens
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 416 KB
- Volume
- 259
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
High-resolution neutron spectroscopy was used to measure the rotational spectra of isolated NH 3 molecules adsorbed on MgO{100} surfaces. The energies of the four lowest rotational levels were analyzed first by the single-particle model and secondly by a model of coupled rotation of the molecule and its centre of mass. Only the latter potential surface can be reproduced with reasonable accuracy on the basis of semi-empirical pair interaction potentials. Thus this system is among the first examples of coupled internal and off-centre rotation in the quantum regime. The off-centre site of the NH 3 and the coupled motion are confirmed by a recent ab initio calculation. ' ~.' ~ ' ' ' ) ' ~ ' ~ ' any symmetry (with the angle ~ around the space-D o+~, 8,A 5~lQ~r~, ) ~ ..... o~1