The Vibrational Assignments of Sulfuryl-Fluoride, -Chloride and -Fluorochloride and Their Transferable Force Constants

Abstract

Abstract A normal coordinate treatment has been carried out on the basis of the Urey-Bradley force field in order to obtain a set of the most probable assignments and the transferable force constants for the sulfuryl fluoride, the chloride and the fluorochloride series. The assignments selected and the force constants obtained have been satisfactory. The potential energy distributions have been calculated and the vibrational modes have been estimated for each molecule.