A generalized valence bond model for the quantum mechanics of bonding in sulfur compounds, a new view of hypervalency

TL;DR

This paper introduces a generalized valence bond model for sulfur hypervalent molecules, providing a new perspective on bonding and hypervalency, with detailed comparisons to existing methods.

Contribution

It presents a novel valence bond approach that emphasizes local transferable bonding in hypervalent sulfur compounds, distinguishing it from traditional DFT and delocalized wavefunction models.

Findings

New valence bond model for sulfur hypervalency

Detailed comparison with DFT and delocalized methods

Concept of local transferable bonding in hypervalent molecules

Abstract

A model for the bonding of hypervalent molecules containing sulfur is presented using generalized valence bond wavefunctions. To delineate the model from more commonly used DFT and delocalized wavefunctions, we present detailed comparisons to these other methods. The result is a new concept of local transferable bonding in hypervalent molecules.