Predicting the Shapes of Molecules
There is no direct relationship between the formula of a compound and the shape of its molecules. The shapes of these molecules can be predicted from their Lewis structures, however, with a model developed about 30 years ago, known as the valence-shell electron-pair repulsion (VSEPR) theory.
The VSEPR theory assumes that each atom in a molecule will achieve a geometry that minimizes the repulsion between electrons in the valence shell of that atom. The five compounds shown in the figure below can be used to demonstrate how the VSEPR theory can be applied to simple molecules.
There are only two places in the valence shell of the central atom in BeF2 where electrons can be found. Repulsion between these pairs of electrons can be minimized by arranging them so that they point in opposite directions. Thus, the VSEPR theory predicts that BeF2 should be a linear molecule, with a 180o angle between the two Be-F bonds.
There are three places on the central atom in boron trifluoride (BF3) where valence electrons can be found. Repulsion between these electrons can be minimized by arranging them toward the corners of an equilateral triangle. The VSEPR theory therefore predicts a trigonal planar geometry for the BF3 molecule, with a F-B-F bond angle of 120o.
BeF2 and BF3 are both two-dimensional molecules, in which the atoms lie in the same plane. If we place the same restriction on methane (CH4), we would get a square-planar geometry in which the H-C-H bond angle is 90o. If we let this system expand into three dimensions, however, we end up with a tetrahedral molecule in which the H-C-H bond angle is 109o28'.
Repulsion between the five pairs of valence electrons on the phosphorus atom in PF5 can be minimized by distributing these electrons toward the corners of a trigonal bipyramid. Three of the positions in a trigonal bipyramid are labeled equatorial because they lie