Three electron bonding in thiazyl halides - NSZ [Z = F, Cl, Br]

Abstract

Force fields of NSF, NSCl and NSBr have been studied employing the iterative force field refinement technique proposed by the authors in an earlier paper. While the force field of NSF is in conformity with the structure obtained through the simple electron pairing approach, those of NSCl and NSBr show deviation. Further, the discrepancy in the calculated centrifugal distortion constants of NSCl suggests a different structure. Three-electron bonding seems to be a better proposal for NSCl and NSBr. A detailed force field-structure analysis is presented on the basis of three-electron bonding model.