Line position analysis of the ν2 band of SO2F2 using the C2vTop Data System

Abstract A new high-resolution infrared spectrum of the ν 2 band of SO 2 F 2 centered at 849.46 cm −1 has been recorded with a resolution of 0.00102 cm −1 at the AILES beamline of SOLEIL Synchrotron facility. More than 1600 lines up to J max  = 41 have been assigned and fitted in line position using a tensorial formalism adapted to the case of XY 2 Z 2 asymmetric molecules developed as an extension of the usual one used for spherical tops (Rotger et al., 2002). The analysis has been performed in the O ( 3 ) ⊃ T d ⊃ C 2 v group chain, thanks to the C 2 v TDS program suite (Wenger et al., 2005). This approach allows a systematic development of rovibrational interaction to study any polyad of SO 2 F 2 and makes easier global analysis. Compared to a previous study (Merke et al., 2006), the present fit uses less effective Hamiltonian parameters but we assigned lines up to a lower J value.