Spectroscopic studies of sulphur dichloride (chlorosulphonyl) imide (ClSO2N=SCl2)
✍ Scribed by R. M. S. Álvarez; E. H. Cutín; R. M. Romano; H.-G. Mack; C. O. Della Védova
- Book ID
- 101248579
- Publisher
- John Wiley and Sons
- Year
- 1998
- Tongue
- English
- Weight
- 258 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0377-0486
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✦ Synopsis
Sulphur dichloride (chlorosulphonyl) imide, was prepared by reaction of with ClSO 2 NxSCl 2 ClSO 2 NH 2 SOCl 2
. 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 symmetry as deduced by ab initio and density functional theory calculations using C 1 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.