Spectroscopic studies of sulphur dichloride (chlorosulphonyl) imide (ClSO2N=SCl2)

Abstract

Sulphur dichloride (chlorosulphonyl) imide, ClSO2N=SCl2 was prepared by reaction of ClSO2NH2 with SOCl2. The liquid Raman (3500–50 cm-1) and liquid infrared (4000–400 cm-1) spectra were recorded. Additionally, qualitative depolarization values were obtained for the most intense Raman bands. The vibrational spectra were interpreted on the basis of C1 symmetry as deduced by ab initio and density functional theory calculations using HF/6–31G* and BPW91/6–31G* approximations. A theoretical ab initio vibrational spectrum was also derived using the same basis set. For all except one of the torsional modes, experimental wavenumbers were recorded. A subsequent normal coordinate analysis was performed using a torsional wavenumber calculated by ab initio methods. © 1998 John Wiley & Sons, Ltd.