Deformation of sulfur hexafluoride and floppiness of trifluoromethyl sulfur pentafluoride

Abstract

With recent advances in space exploration and atmospheric chemistry there is an increased need for more spectroscopic tools to allow the of study complex species. One such tool is the theory of frame transformation of coupled rotor systems. In this article, the theory of frame transformation along with the concept of rotational energy surface is used to study the symmetry that occurs in trifluoromethyl sulfur pentafluoride due to the internal rotation of the CF₃ radical and, more generally, to the extent of floppiness of SF₅CF₃. Other lower symmetries when a CF₄ molecule is stuck on the various symmetry axes of an SF₆ molecule are also discussed.