Synthesis and characterization of fluoro azido-carbondisulfide, F–SCSN 3, and a new synthesis for azido-carbondisulfide, N 3SCS–SCSN 3

Abstract

A new and improved synthesis for azido-carbondisulfide, N 3SCS–SCSN 3 ( 1), is reported from sodium azido-dithiocarbonate, [Na][SCSN 3], and xenon difluoride in aqueous solution. Treatment of azido-carbondisulfide, N 3SCS–SCSN 3 ( 1), with elemental fluorine in SO 2ClF solution at −100°C yielded the new compound fluoro azido-carbondisulfide, F–SCSN 3 ( 2), as a pale yellow solid. F-SCSN 3 ( 2) was characterized by infrared and Raman spectroscopy and quantum chemical DFT computations. The structures of both compounds, N 3SCS–SCSN 3 ( 1) and F–SCSN 3 ( 2), have been elucidated by a combined theoretical (DFT) and experimental (IR, Raman) study.