An Attempt to Estimate the Charge Distribution in Sigma-Bond Systems

Abstract

A classical inductive-effect model has been utilized in an attempt to estimate the change distribution in relatively complicated σ-bond systems. It is assumed that the formal charge on an atom is given as a vectorial sum of the polarities of the bonds attached to that atom and, further, that each bond induces a constant fraction of its own polarity in all of its neighboring bonds. Significance of the model has been tested for several model compounds which permit the closed-form solutions for the distributions of the internally self-consistent bond polarities. The model has been applied to the calculations of the charge distributions in alkanes, ｫ-alkyl halides and hydrated metallic ions ; the results are found to be compatible with observations.