ISSN:
0020-7608
Keywords:
Fullerenes
;
endohedral complexes
;
rotational spectroscopy
;
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
We propose a two-parameter model Hamiltonian to analyze the low-energy dynamics of endohedral C60 fullerene complexes such as Li+@C60, Na+@C60, CO@C60, LiF@C60, and LiH@C60. The simplicity of the model is a direct consequence of very strong constraints imposed by both high symmetry and close confinement conditions, on the spherical anisotropy of the guest-cage interaction. In the parameter space region expanded by the selected systems, the guest low-energy dynamics undergo transitions from almost free rotations to more or less hindered rotations. These dynamics produce very particular features in the low-temperature rotational spectra, which can be taken, therefore, as fingerprints of a particular guest-cage interaction. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 65: 655-663, 1997
Additional Material:
8 Ill.
Type of Medium:
Electronic Resource
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