The reaction of tetrasulphur tetranitride with bis(fluorosulphuryl) peroxide: the electronic structure of the tetrathiazyl dication

Abstract

Tetrasulphur tetranitride is oxidized quantitatively at room temperature to tetrathiazyl di(fluorosulphate) S4N4(SO4F)2. Conductance measurements in HSO3F show this compound to dissociate into ions. The vibrational spectra of the cation are uniquely consistent with a flexible planar structure of D4h symmetry, and the anion bands are characteristic of ionic SO3F−. CNDO and EHMO calculations indicate that the planar form of the cation is stable but easily deformable.