How is vsepr used to predict the geometry of molecules




















The central atom, iodine, contributes seven electrons. Each chlorine contributes seven, and there is a single negative charge. There are six electron groups around the central atom, four bonding pairs and two lone pairs. Although there are lone pairs of electrons, with four bonding electron pairs in the equatorial plane and the lone pairs of electrons in the axial positions, all LP—BP repulsions are the same. Therefore, we do not expect any deviation in the Cl—I—Cl bond angles.

Notice that this gives a total of five electron pairs. With no lone pair repulsions, we do not expect any bond angles to deviate from the ideal. D The PF 5 molecule has five nuclei and no lone pairs of electrons, so its molecular geometry is trigonal bipyramidal. B There are four electron groups around oxygen, three bonding pairs and one lone pair.

Like NH 3 , repulsions are minimized by directing each hydrogen atom and the lone pair to the corners of a tetrahedron. C With three bonding pairs and one lone pair, the structure is designated as AX 3 E and has a total of four electron pairs three X and one E. D There are three nuclei and one lone pair, so the molecular geometry is trigonal pyramidal , in essence a tetrahedron missing a vertex.

However, the H—O—H bond angles are less than the ideal angle of B There are five electron groups around the central atom, two bonding pairs and three lone pairs. Repulsions are minimized by placing the groups in the corners of a trigonal bipyramid. With three lone pairs about the central atom, we can arrange the two F atoms in three possible ways: both F atoms can be axial, one can be axial and one equatorial, or both can be equatorial:.

The structure with the lowest energy is the one that minimizes LP—LP repulsions. D With two nuclei about the central atom, the molecular geometry of XeF 2 is linear.

It is a trigonal bipyramid with three missing equatorial vertices. B There are three electron groups around the central atom, two bonding groups and one lone pair of electrons. It has a total of three electron pairs, two X and one E. Because the lone pair of electrons occupies more space than the bonding pairs, we expect a decrease in the Cl—Sn—Cl bond angle due to increased LP—BP repulsions.

The molecular geometry can be described as a trigonal planar arrangement with one vertex missing. The VSEPR model can be used to predict the structure of somewhat more complex molecules with no single central atom by treating them as linked AX m E n fragments. In , large quantities of Sevin were accidentally released in Bhopal, India, when water leaked into storage tanks. The resulting highly exothermic reaction caused a rapid increase in pressure that ruptured the tanks, releasing large amounts of methyl isocyanate that killed approximately people and wholly or partially disabled about 50, others.

In addition, there was significant damage to livestock and crops. We can treat methyl isocyanate as linked AX m E n fragments beginning with the carbon atom at the left, which is connected to three H atoms and one N atom by single bonds.

The four bonds around carbon mean that it must be surrounded by four bonding electron pairs in a configuration similar to AX 4. We can therefore predict the CH 3 —N portion of the molecule to be roughly tetrahedral, similar to methane:.

For nitrogen to have an octet of electrons, it must also have a lone pair:. Because multiple bonds are not shown in the VSEPR model, the nitrogen is effectively surrounded by three electron pairs.

The three fragments combine to give the following structure:. Certain patterns are seen in the structures of moderately complex molecules. For example, carbon atoms with four bonds such as the carbon on the left in methyl isocyanate are generally tetrahedral. Similarly, the carbon atom on the right has two double bonds that are similar to those in CO 2 , so its geometry, like that of CO 2 , is linear.

Recognizing similarities to simpler molecules will help you predict the molecular geometries of more complex molecules. Count the number of electron groups around each carbon, recognizing that in the VSEPR model, a multiple bond counts as a single group. Because the carbon atom on the left is bonded to four other atoms, we know that it is approximately tetrahedral.

The next two carbon atoms share a triple bond, and each has an additional single bond. Because a multiple bond is counted as a single bond in the VSEPR model, each carbon atom behaves as if it had two electron groups. You previously learned how to calculate the dipole moments of simple diatomic molecules. Mathematically, dipole moments are vectors ; they possess both a magnitude and a direction. The dipole moment of a molecule is therefore the vector sum of the dipole moments of the individual bonds in the molecule.

If the individual bond dipole moments cancel one another, there is no net dipole moment. As a result, the CO 2 molecule has no net dipole moment even though it has a substantial separation of charge.

Thus a molecule such as H 2 O has a net dipole moment. We expect the concentration of negative charge to be on the oxygen, the more electronegative atom, and positive charge on the two hydrogens. With two hydrogen atoms and two lone pairs of electrons, the structure has significant lone pair interactions. There are two nuclei about the central atom, so the molecular shape is bent , or V shaped , with an H—O—H angle that is even less than the H—N—H angles in NH 3 , as we would expect because of the presence of two lone pairs of electrons on the central atom rather than one..

This molecular shape is essentially a tetrahedron with two missing vertices. In previous examples it did not matter where we placed the electron groups because all positions were equivalent. In some cases, however, the positions are not equivalent.

We encounter this situation for the first time with five electron groups. Phosphorus has five valence electrons and each chlorine has seven valence electrons, so the Lewis electron structure of PCl 5 is.

There are five bonding groups around phosphorus, the central atom. The structure that minimizes repulsions is a trigonal bipyramid , which consists of two trigonal pyramids that share a base Figure 9.

All electron groups are bonding pairs, so the structure is designated as AX 5. There are no lone pair interactions.

The molecular geometry of PCl 5 is trigonal bipyramidal , as shown in Figure 9. The molecule has three atoms in a plane in equatorial positions and two atoms above and below the plane in axial positions. The axial and equatorial positions are not chemically equivalent, as we will see in our next example. The sulfur atom has six valence electrons and each fluorine has seven valence electrons, so the Lewis electron structure is.

With an expanded valence, this species is an exception to the octet rule. There are five groups around sulfur, four bonding pairs and one lone pair. With five electron groups, the lowest energy arrangement is a trigonal bipyramid, as shown in Figure 9. However, because the axial and equatorial positions are not chemically equivalent, where do we place the lone pair?

We also expect a deviation from ideal geometry because a lone pair of electrons occupies more space than a bonding pair. With four nuclei and one lone pair of electrons, the molecular structure is based on a trigonal bipyramid with a missing equatorial vertex; it is described as a seesaw. The bromine atom has seven valence electrons, and each fluorine has seven valence electrons, so the Lewis electron structure is.

Once again, we have a compound that is an exception to the octet rule. There are five groups around the central atom, three bonding pairs and two lone pairs. We again direct the groups toward the vertices of a trigonal bipyramid.

With three bonding pairs and two lone pairs, the structural designation is AX 3 E 2 with a total of five electron pairs. Because the axial and equatorial positions are not equivalent, we must decide how to arrange the groups to minimize repulsions. However, we predict a deviation in bond angles because of the presence of the two lone pairs of electrons.

The three nuclei in BrF 3 determine its molecular structure, which is described as T shaped. This is essentially a trigonal bipyramid that is missing two equatorial vertices. Because lone pairs occupy more space around the central atom than bonding pairs, electrostatic repulsions are more important for lone pairs than for bonding pairs.

Each iodine atom contributes seven electrons and the negative charge one, so the Lewis electron structure is. To minimize repulsions, the groups are directed to the corners of a trigonal bipyramid. We must now decide how to arrange the lone pairs of electrons in a trigonal bipyramid in a way that minimizes repulsions.

The three lone pairs of electrons have equivalent interactions with the three iodine atoms, so we do not expect any deviations in bonding angles. This can be described as a trigonal bipyramid with three equatorial vertices missing.

Six electron groups form an octahedron , a polyhedron made of identical equilateral triangles and six identical vertices Figure 9. The central atom, sulfur, contributes six valence electrons, and each fluorine atom has seven valence electrons, so the Lewis electron structure is. There are six electron groups around the central atom, each a bonding pair.

With only bonding pairs, SF 6 is designated as AX 6. All positions are chemically equivalent, so all electronic interactions are equivalent. There are six nuclei, so the molecular geometry of SF 6 is octahedral.

The central atom, bromine, has seven valence electrons, as does each fluorine, so the Lewis electron structure is. With its expanded valence, this species is an exception to the octet rule.

There are six electron groups around the Br, five bonding pairs and one lone pair. With five bonding pairs and one lone pair, BrF 5 is designated as AX 5 E; it has a total of six electron pairs. The BrF 5 structure has four fluorine atoms in a plane in an equatorial position and one fluorine atom and the lone pair of electrons in the axial positions.

With five nuclei surrounding the central atom, the molecular structure is based on an octahedron with a vertex missing. This molecular structure is square pyramidal. The F axial —B—F equatorial angles are The central atom, iodine, contributes seven electrons. Each chlorine contributes seven, and there is a single negative charge. There are six electron groups around the central atom, four bonding pairs and two lone pairs.

Although there are lone pairs of electrons, with four bonding electron pairs in the equatorial plane and the lone pairs of electrons in the axial positions, all LP—BP repulsions are the same. Therefore, we do not expect any deviation in the Cl—I—Cl bond angles. The relationship between the number of electron groups around a central atom, the number of lone pairs of electrons, and the molecular geometry is summarized in Figure 9. Given: two chemical species. Asked for: molecular geometry.

A Draw the Lewis electron structure of the molecule or polyatomic ion. B Determine the electron group arrangement around the central atom that minimizes repulsions. D Describe the molecular geometry. A The central atom, P, has five valence electrons and each fluorine has seven valence electrons, so the Lewis structure of PF 5 is.

B There are five bonding groups about phosphorus. The structure that minimizes repulsions is a trigonal bipyramid Figure 9. Notice that this gives a total of five electron pairs. With no lone pair repulsions, we do not expect any bond angles to deviate from the ideal. D The PF 5 molecule has five nuclei and no lone pairs of electrons, so its molecular geometry is trigonal bipyramidal. A The central atom, O, has six valence electrons, and each H atom contributes one valence electron. Subtracting one electron for the positive charge gives a total of eight valence electrons, so the Lewis electron structure is.

B There are four electron groups around oxygen, three bonding pairs and one lone pair. Like NH 3 , repulsions are minimized by directing each hydrogen atom and the lone pair to the corners of a tetrahedron. C With three bonding pairs and one lone pair, the structure is designated as AX 3 E and has a total of four electron pairs three X and one E.

D There are three nuclei and one lone pair, so the molecular geometry is trigonal pyramidal , in essence a tetrahedron missing a vertex. However, the H—O—H bond angles are less than the ideal angle of Predict the molecular geometry of each molecule. Given: two chemical compounds. A Xenon contributes eight electrons and each fluorine seven valence electrons, so the Lewis electron structure is.

B There are five electron groups around the central atom, two bonding pairs and three lone pairs. You can view a better structural formula of butane at en.

Let's start with the leftmost side. We see that C has three single bonds to 2 Hydrogens and one single bond to Carbon. That means that we have 4 electron groups.

By checking the geometry of molecules chart above, we have a tetrahedral shape. Now, we move on to the next Carbon. This Carbon has 2 single bonds to 2 Carbons and 2 single bonds to 2 Hydrogens. Again, we have 4 electron groups which result in a tetrahedral. Continuing this trend, we have another tetrahedral with single bonds attached to Hydrogen and Carbon atoms.

As for the rightmost Carbon, we also have a tetrahedral where Carbon binds with one Carbon and 3 Hydrogens. Let me recap. We took a look at butane provided by the wonderful Wikipedia link. We, then, broke the molecule into parts. We did this by looking at a particular central atom. In this case, we have 4 central atoms, all Carbon.

By breaking the molecule into 4 parts each part looks at 1 of the 4 Carbons , we determine how many electron groups there are and find out the shapes. We aren't done, yet! We need to determine if there are any lone pairs because we only looked at bonds. Remember that electron groups include lone pairs! Butane doesn't have any lone pairs.

Hence, we have 4 tetrahedrals. Now, what are we going to do with 4 tetrahedrals? Well, we want to optimize the bond angle of each central atom attached to each other. This is due to the electrons that are shared are more likely to repel each other. With 4 tetrahedrals, the shape of the molecule looks like this: en.

That means that if we look back at every individual tetrahedral, we match the central Carbon with the Carbon it's bonded to. Bond angles also contribute to the shape of a molecule. Bond angles are the angles between adjacent lines representing bonds. The bond angle can help differentiate between linear, trigonal planar, tetraheral, trigonal-bipyramidal, and octahedral. The ideal bond angles are the angles that demonstrate the maximum angle where it would minimize repulsion, thus verifying the VSEPR theory.

Essentially, bond angles is telling us that electrons don't like to be near each other. Electrons are negative. Two negatives don't attract. Let's create an analogy. Generally, a negative person is seen as bad or mean and you don't want to talk to a negative person. One negative person is bad enough, but if you have two put together The two negative people will be mean towards each other and they won't like each other.

So, they will be far away from each other. We can apply this idea to electrons. Electrons are alike in charge and will repel each other. The farthest way they can get away from each other is through angles.

Now, let's refer back to tetrahedrals. Why is it that 90 degrees does not work? Well, if we draw out a tetrahedral on a 2-D plane, then we get 90 degrees.

However, we live in a 3-D world. Step 4: The molecular geometry describes the position only of atomic nuclei not lone electron pairs of a molecule or ion. If there are no lone electron pairs on the central atom, the electron pair and molecular geometries are the same.

Choose the correct molecular geometries for the following molecules or ions below. Review the various molecular geometries by clicking on the test tube above and then try again. The geometry for these three molecules and ions is summarized in the table below. Notice when there are no lone electron pairs on the central atom, the electron pair and molecular geometries are the same. Molecule or Ion Regions of Electron Pair Density of Lone Electron Pairs on Central Atom Electron Pair Geometry Molecular Geometry 4 1 tetrahedral triangular pyramidal 4 0 tetrahedral tetrahedral 3 0 triangular planar triangular planar Notice when there are no lone electron pairs on the central atom, the electron pair and molecular geometries are the same.

Molecular Geometry Many of the physical and chemical properties of a molecule or ion are determined by its three-dimensional shape or molecular geometry.



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