Molecular Force Field for Seleninyl Fluoride

Abstract

A modified U.B.F.F. containing terms directly related to lone pair electrons, has been used to evaluate the potential constants of SeOF2. The value obtained for the Se-O stretching constant supports the double bond character of the bond. The lone pair-bond pair repulsion bears a fixed ratio to the non-bonded repulsion (FeF/FFF=1.24 and Feo/FoF=1.23) and this result is in agreement with earlier conclusions.