Electronic Resource
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
22 (1982), S. 331-350
ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A complete permutational analysis of the XeF6 dynamics is presented. The Longuet-Higgins group for each mode of rearrangement is obtained. On the basis of the splitting scheme of rigid molecule levels and statistical weights and selection rules for the non rigid molecule levels, it appears that transverse digonal twists and turnstile mechanisms have the same spectroscopic effects as the BPR-6 mechanisms. Hence, the previous interpretation of IR and Raman spectra is consistent with tunneling through transverse digonal twists and turnstile mechanisms as well as through BPR-6.
Additional Material:
6 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560220211
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