ISSN:
0009-2940
Keywords:
Trichlorophosphoranylidenesulfamoyl chloride
;
Vibrational spectroscopy
;
Conformational properties
;
Quantum chemical calculations
;
Chemistry
;
Inorganic Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Raman (3500-50 cm-l) and infrared (4000-400 cm-l) spectra of the title compound, ClSO2N=PCl3, were recorded for the solid and liquid phase. Additionally, the Raman spectrum of the compound dissolved in CCl4 was obtained and qualitative depolarization values were determined. The spectra of the liquid and solid phase were interpreted in terms of the existence of only one conformation possessing C1 symmetry, as predicted by quantum chemical calculations. A complete vibrational assignment is proposed based on the relative intensities, on group frequencies along with support from the normal coordinate analysis. The experimental fundamental vibrational modes are compared to those obtained from theoretical approaches employing the ab initio MP2/6-31G* method and a density functional approximation (B3PW91/6-31G*).
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/cber.19971300817
