Molecular force field for bromine pentafluoride

Abstract
An attempt has been made to study the influence of lone pair electrons on the potential constants of BrF5 with a modified Urey–Bradley force field. It is found that the lone pair – bond pair repulsion is greater than the bond pair – bond pair repulsion. It is also concluded from a study of other molecules containing halogen atoms that the ratio of lone pair – bond pair interaction to bond pair – bond pair interaction is very nearly 1.23.

This publication has 0 references indexed in Scilit: