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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 BeF 2 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 BeF 2 should be a linear molecule, with a 180 ^ 0 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 BF 3 molecule, with a F-B-F bond angle of 120 degrees BeF 2 and BF 3 are both two dimensional molecules, in which the atoms lie in the same plane. If we place the same restriction on methane (CH 4 ) , we would get a square-planar geometry in which the H-C-H bond angle is 90°. 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 109^ 28^ prime . Repulsion between the five pairs of valence electrons on the phosphorus atom in PF 5 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 along the equator of the molecule. The other two are axial because they lie along an axis perpendicular to the equatorial plane. The angle between the three equatorial positions is 1200, while the angle between an axial and an equatorial position is 90 ^ 0 . There are six places on the central atom in SF 6 where valence electrons can be found. The repulsion between these electrons can be minimized by distributing them toward the corners of an octahedron. The term octahedron literally means "eight sides," but it is the six corners, or vertices, that interest us. To imagine the geometry of an SF 6 molecule, locate fluorine atoms on opposite sides of the sulfur atom along the X, Y, and Z axes of an XYZ coordinate system.
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Valence shell electron pair repulsion theory, or VSEPR theory, is a model used in chemistry to predict the geometry of individual molecules from the number of electron pairs surrounding their central atoms. It is also named the Gillespie-Nyholm theory after its two main developers, Ronald Gillespie and Ronald Nyholm
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