Session S78 (Thursday, 9:30am, Life Sciences 011)

P934: Applying the Generalized Valence Bond wavefunction to the formation of hypervalent molecules in general chemistry

Tyler Takeshita, Thom Dunning (University of Illinois – Urbana/Champaign, USA)

The average general chemistry student is presented with a variety of outdated and sometimes even incorrect models to assist in their understanding of bonding and molecular structure. As the presence of computational tools in the classroom continues to increase, students will need a conceptual model for understanding bonding that is consistent with the calculated results. In the new bonding module under development at the University of Illinois, we have adopted a simplified but rigorously quantum chemical model for understanding bonding that is drawn from generalized valence bond (GVB) theory. In this talk, we will describe how our approach accounts for the stability and structures of hypervalent molecules containing sulfur. The talk draws upon our ongoing research into the role of recoupled pair bonding in compounds across the p-block, including those that are traditionally considered to be hypervalent and those that are not.


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