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

Abstract

A new high-resolution infrared spectrum of the ν2 band of SO2F2 centered at 849.46cm−1 has been recorded with a resolution of 0.00102cm−1 at the AILES beamline of SOLEIL Synchrotron facility. More than 1600 lines up to Jmax=41 have been assigned and fitted in line position using a tensorial formalism adapted to the case of XY2Z2 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)⊃Td⊃C2v group chain, thanks to the C2vTDS program suite (Wenger et al., 2005). This approach allows a systematic development of rovibrational interaction to study any polyad of SO2F2 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.