6533b82cfe1ef96bd128eb20

RESEARCH PRODUCT

Deformation of sulfur hexafluoride and floppiness of trifluoromethyl sulfur pentafluoride

Vincent BoudonH. T. CrogmanWilliam G. HarterJ. Mitchell

subject

Surface (mathematics)[PHYS.PHYS.PHYS-AO-PH]Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]010304 chemical physicsChemistryInorganic chemistryBiophysicsDeformation (meteorology)010402 general chemistryCondensed Matter Physics01 natural sciencesSymmetry (physics)0104 chemical sciencesRotational energySulfur hexafluoridechemistry.chemical_compound[ PHYS.PHYS.PHYS-AO-PH ] Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]Chemical physicsAtmospheric chemistry0103 physical sciencesMoleculePhysical and Theoretical ChemistryPhysics::Chemical PhysicsMolecular BiologyTrifluoromethyl sulfur pentafluoride

description

International audience; 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.

https://hal.archives-ouvertes.fr/hal-00437074