Valence shell electron pair repulsion predicting molecular geometries with

Valence shell electron pair repulsion theory places the two electron pairs on Be 180° apart, that is, with linear electronic geometry. Both electron pairs are bonding pairs, so VSEPR also predicts a linear atomic arrangement, or linear molecular geometry, for BeCl2. 

In 1968 Bartell published an article on the use of molecular models in the curriculum. In this paper the qualitative valence shell electron pair repulsion (VSEPR) model and the relative role of bonded and nonbonded interaaion in directed valence is discussed. The author correctly predicted the increasing importance of model force fields for geometry prediction. An early discussion of the use of molecular mechanics in teaching can be found in a paper by Cox. 07 A cursory description of the methodology of force field calculations is presented, along with computational results on the relative energy of the rotamers of butane and the conformers of cyclohexane. 

Molecular Shapes The shapes of molecules can be predicted by combining Lewis theory with valence shell electron pair repulsion (VSEPR) theory. In tiiis model, electron groups— lone pairs, single bonds, double bonds, and triple bonds—aroxmd the central atom repel one another and determine the geometry of the molecule. 

In Appendix 2 is outlined the most popular and successful simple model for predicting molecular geometry of main group compounds, the valence shell electron pair repulsion (VSEPR) model. However, alongside it are presented the results of some detailed calculations which prompt the comment the VSEPR model usually makes correct predictions, but there is no simple reason why . The problem of the bonding in transition metal complexes will be the subject of models presented in Chapters 6, 7 and 10 this last chapter reviews the current situation. At this point it is sufficient to comment that the most useful applications of current simple theory are those that start with the observed structure and work from there. In the opinion of the author, the general answer to the question posed at the head of this section is that we really do not know. 

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