Portal de Periódicos da CAPES

Millimeter- and submillimeter-wave spectroscopy of disulfur dioxide, OSSO

2014; Elsevier BV; Volume: 307; Linguagem: Inglês

10.1016/j.jms.2014.11.007

1096-083X

Marie‐Aline Martin‐Drumel, Jennifer van Wijngaarden, Oliver Zingsheim, Frank Lewen, Michael E. Harding, Stephan Śchlemmer, Sven Thorwirth,

Advanced Chemical Physics Studies

The millimeter-wave spectrum of the cis conformer of disulfur dioxide, cis-OSSO, has been recorded in this study in the ranges 70–120 GHz and 340–500 GHz. Transitions of its second most abundant isotopologue, OS34SO, have also been observed. The species was produced in a radio frequency discharge through flowing SO2. An improved set of molecular parameters has been derived from the newly recorded data, allowing for accurate predictions throughout the millimeter-wave region and into the submillimeter-wave domain. Quantum-chemical calculations at the coupled-cluster level of theory have also been performed, providing an accurate set of structural parameters of this species for comparison with experimentally derived values.