Semiempirical Calculation of the Rotational Barrier and Valence Force Constants in Fluorocarbonylsulfenyl Chloride

Abstract

The rotational barrier about the C - S bond in fluorocarbonylsulfenyl chloride [FC(0)SC1] is investigated using the CNDO method. The results confirm the existence of planar eis and trans conformers and the higher stability of the latter, as suggested by previous vibrational results. The valence force constants in FC(0)SC1 were also calculated and the values obtained compare favourably with results from a previous normal coordinate calculation and with those of related compounds.