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Article Dans Une Revue Journal of Molecular Structure Année : 2006

The SO2F2 quasi-spherical top: Correspondence between tensorial and Watson's formalisms

Résumé

The SO2F2 quasi-spherical top molecule with C2v symmetry is considered as a distorted spherical top deriving from the SO4 2 tetrahedral ion. We present here a detailed correspondence between the tensorial formalism using the Td > C2v reorientation and the usual Hamiltonian of Watson. We have also performed ab initio calculations in order to determine the centrifugal distorsion constants in the vibrational ground state.

Dates et versions

hal-00437078 , version 1 (29-11-2009)

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Vincent Boudon, Maud Rotger, N. Zvereva-Loete, Michel Loete. The SO2F2 quasi-spherical top: Correspondence between tensorial and Watson's formalisms. Journal of Molecular Structure, 2006, 780-81, pp.124-133. ⟨10.1016/j.molstruc.2005.05.056⟩. ⟨hal-00437078⟩
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