The SO2F2 quasi-spherical top: Correspondence between tensorial and Watson's formalisms
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...
Gespeichert in:
Veröffentlicht in: | Journal of molecular structure 2006-01, Vol.780-781, p.124-133 |
---|---|
Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
Schlagworte: | |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
Zusammenfassung: | 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. |
---|---|
ISSN: | 0022-2860 0022-2860 |
DOI: | 10.1016/j.molstruc.2005.05.056 |