The ground state rotational spectrum of SO2F2

✍ Scribed by M. Rotger; V. Boudon; M. Loëte; L. Margulès; J. Demaison; H. Mäder; G. Winnewisser; H.S.P. Müller

• Publisher: Elsevier Science
• Year: 2003
• Tongue: English
• Weight: 292 KB
• Volume: 222
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1016/s0022-2852(03)00215-7

✦ Synopsis

2000)

55] has been performed with the WatsonÕs Hamiltonian up to sextic terms but shows some limits due to the A and S reductions. Since SO 2 F 2 is a quasi-spherical top, it can also be regarded as derived from an hypothetical XY 4 molecule. Thus we have developed a new tensorial formalism in the Oð3Þ ' T d ' C 2v group chain (M. Rotger, V. Boudon, M. Lo€ e ete, J. Mol. Spectrosc. 216 (2002) 297]. We test it on the ground state of this molecule using the same experimental data (10 GHz-1 THz region, J up to 99). Both fits are comparable even if the formalisms are slightly different. This paper intends to establish a link between the classical approach and the tensorial formalism. In particular, our tensorial parameters at a given order of the development are related to the usual ones. Programs for spectrum simulation and fit using these methods are named C 2v TDS.