Line position analysis of the v(2) band of SO2F2 using the C(2v)Top Data System

A new high-resolution infrared spectrum of the v(2) band of SO2F2 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) superset of T-d superset of C-2v, 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. (C) 2016 Elsevier Inc. All rights reserved.