Show simple item record

dc.creatorCoudert, L. H.en_US
dc.description$^{1}$ M. Bogey, C. Demuynck, J.-L. Destombes and A. D. Walters, Astron. Astrophys. 247, L13-L16 (1991). $^{2}$ C. A. Gottlieb, J. M. Vrtilek and P. Thaddeus, Astrophysical Journal 343, L29-L32 (1989). $^{3}$ A. J. Sadlej, G. H. F. Diercksen, J. Oddershede, and J. R. Sabin, Chem. Phys. 122, 297-304 (1988).en_US
dc.descriptionAuthor Institution: Laboratoire de Physique Mol\'{e}culaire et Applications, Universit\'{e} Pierre et Marie Curie et CNRSen_US
dc.description.abstractIn the T-shaped $SiC_{2}$ molecule, it is conjectured that the $C_{2}$ fragment is bound to the silicium atom by an ionic essentially non directional bound, and thus could rotate within the $molecule.^{1}$ The $\nu_{3}$ mode, corresponding to this internal rotation, might, therefore, be a large amplitude motion and this could explain the difficulties encountered in fitting the microwave spectrum of this molecule in the ground vibrational $state^{2}$ as well as in the $v_{3}-1$ vibrational $state.^{1}$ In an attempt to calculate the rovibrational energy levels of the $SiC_{2}$ molecule, a formalism will be derived in which the $\nu_{3}$ mode is treated as a large amplitude motion. This requires accounting for the two main features of the $SiC_{2}$ dynamics: the strong dependence of the inverse moment of inertia tensor on the angle of internal rotation and the Coriolis coupling between the large amplitude $\nu_{3}$ mode and the overall rotation of the molecule. The results obtained when using this formalism to fit the microwave $data^{1,2}$ will be discussed. The value obtained for the height of the potential barrier hindering the internal rotation will be reported and compared to the value given by ab initio $calculations.^{3}$en_US
dc.format.extent94645 bytes
dc.publisherOhio State Universityen_US

Files in this item


Items in Knowledge Bank are protected by copyright, with all rights reserved, unless otherwise indicated.

This item appears in the following Collection(s)

Show simple item record