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) S 4 N 4 (SO 4 F) 2 . Conductance measurements in HSO 3 F show this compound to dissociate into ions. The vibrational spectra of the cation are uniquely consistent with a flexible planar structure of D 4h symmetry, and the anion bands are characteristic of ionic SO 3 F − . CNDO and EHMO calculations indicate that the planar form of the cation is stable but easily deformable.