How is molecular geometry predicted




















The table below shows the electron pair geometries for the structures we've been looking at:. 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.

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:. The experimentally determined structure of methyl isocyanate confirms our prediction Figure 9. 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.

Given: chemical compound. Count the number of electron groups around each carbon, recognizing that in the VSEPR model, a multiple bond counts as a single group. Use Figure 9. 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.

In Chapter 8 "Ionic versus Covalent Bonding" , you 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. Such is the case for CO 2 , a linear molecule part a in Figure 9. As a result, the CO 2 molecule has no net dipole moment even though it has a substantial separation of charge. In contrast, the H 2 O molecule is not linear part b in Figure 9.

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. This charge polarization allows H 2 O to hydrogen-bond to other polarized or charged species, including other water molecules.

Their vector sum is zero, so CO 2 therefore has no net dipole. Hence the vector sum is not zero, and H 2 O has a net dipole moment. Other examples of molecules with polar bonds are shown in Figure 9. In molecular geometries that are highly symmetrical most notably tetrahedral and square planar, trigonal bipyramidal, and octahedral , individual bond dipole moments completely cancel, and there is no net dipole moment.

Although a molecule like CHCl 3 is best described as tetrahedral, the atoms bonded to carbon are not identical. Consequently, the bond dipole moments cannot cancel one another, and the molecule has a dipole moment.

Due to the arrangement of the bonds in molecules that have V-shaped, trigonal pyramidal, seesaw, T-shaped, and square pyramidal geometries, the bond dipole moments cannot cancel one another.

Consequently, molecules with these geometries always have a nonzero dipole moment. Individual bond dipole moments are indicated in red. Molecules with asymmetrical charge distributions have a net dipole moment. Given: three chemical compounds. Asked for: net dipole moment. For each three-dimensional molecular geometry, predict whether the bond dipoles cancel.

If they do not, then the molecule has a net dipole moment. The total number of electrons around the central atom, S, is eight, which gives four electron pairs. Two of these electron pairs are bonding pairs and two are lone pairs, so the molecular geometry of H 2 S is bent Figure 9. The bond dipoles cannot cancel one another, so the molecule has a net dipole moment. Difluoroamine has a trigonal pyramidal molecular geometry.

Because there is one hydrogen and two fluorines, and because of the lone pair of electrons on nitrogen, the molecule is not symmetrical, and the bond dipoles of NHF 2 cannot cancel one another. This means that NHF 2 has a net dipole moment. We expect polarization from the two fluorine atoms, the most electronegative atoms in the periodic table, to have a greater affect on the net dipole moment than polarization from the lone pair of electrons on nitrogen.

Lewis electron structures give no information about molecular geometry , the arrangement of bonded atoms in a molecule or polyatomic ion, which is crucial to understanding the chemistry of a molecule.

The valence-shell electron-pair repulsion VSEPR model allows us to predict which of the possible structures is actually observed in most cases. It is based on the assumption that pairs of electrons occupy space, and the lowest-energy structure is the one that minimizes electron pair—electron pair repulsions.

From the BP and LP interactions we can predict both the relative positions of the atoms and the angles between the bonds, called the bond angles. From this we can describe the molecular geometry. A combination of VSEPR and a bonding model, such as Lewis electron structures, however, is necessary to understand the presence of multiple bonds. Molecules with polar covalent bonds can have a dipole moment , an asymmetrical distribution of charge that results in a tendency for molecules to align themselves in an applied electric field.

Any diatomic molecule with a polar covalent bond has a dipole moment, but in polyatomic molecules, the presence or absence of a net dipole moment depends on the structure. For some highly symmetrical structures, the individual bond dipole moments cancel one another, giving a dipole moment of zero. What are the differences between molecular geometry and Lewis electron structures? Can two molecules with the same Lewis electron structures have different molecular geometries?

Can two molecules with the same molecular geometry have different Lewis electron structures? In each case, support your answer with an example. Predict the molecular geometry of each, and arrange them in order of increasing X—A—X angle. Which has the smaller angles around the central atom—H 2 S or SiH 4?

Do the Lewis electron structures of these molecules predict which has the smaller angle? Discuss in your own words why lone pairs of electrons occupy more space than bonding pairs.

How does the presence of lone pairs affect molecular geometry? Explain this order. Draw structures of real molecules that separately show each of these interactions. How do multiple bonds affect molecular geometry? Does a multiple bond take up more or less space around an atom than a single bond? Compare the geometry of 1-hexene to that of n -hexane. How is molecular geometry related to the presence or absence of a molecular dipole moment?

How are molecular geometry and dipole moments related to physical properties such as melting point and boiling point? Is COF 2 likely to have a significant dipole moment? Explain your answer. When a chemist says that a molecule is polar , what does this mean? What are the general physical properties of polar molecules?

Use the VSPER model and your knowledge of bonding and dipole moments to predict which molecules will be liquids or solids at room temperature and which will be gases. Explain your rationale for each choice. Justify your answers. Around phosphorus, there are four electron groups: three bonding pairs and one lone pair. Now determine the electron-pair geometry. The electron pair geometry is tetrahedral.

However, because of the lone pair, the molecular geometry is trigonal pyramidal. The lone pair reduces the bond angle to less than The same protocol is used to predict the electron-pair geometry and molecular structure for carbon dioxide.

The Lewis structure of carbon dioxide shows the two-electron groups around the carbon atom—as each double bond counts as one electron group. The electron-pair and molecular geometries are identical because there are no lone pairs on the central atom, and carbon dioxide molecules are linear.

The Lewis structure of tellurium tetrachloride has five electron groups around the tellurium atom: four bonding pairs and one lone pair. The electron groups have a trigonal bipyramidal geometry. The lone pair occupies one of the equatorial positions, and the molecule is seesaw-shaped.

These steps can again be used to determine the electron-pair geometry and molecular structure of the iodine tetrachloride anion. The Lewis structure has six electron groups around the iodine atom: four bonding pairs and two lone pairs. The electron groups have an octahedral arrangement.

The bonding pairs stay in one plane and the lone pairs are placed on either side of this plane, minimizing the repulsion. The molecular geometry is square planar. The following procedure uses VSEPR theory to determine the electron pair geometries and the molecular structures:.

The molecular structures are identical to the electron-pair geometries when there are no lone pairs present. For a particular number of electron pairs, the molecular structures for one or more lone pairs are determined based on modifications of the corresponding electron-pair geometry.

This shows us two double bonds around the carbon atom—each double bond counts as one electron group, and there are no lone pairs on the carbon atom.

The electron-pair geometry and molecular structure are identical, and CO 2 molecules are linear. To predict the electron-pair geometry and molecular structure of a TeCl 4 molecule, the first step is to write the Lewis structure of TeCl 4. Lee Lerner and Argosy. The Gale Group. The rules and principles of molecular geometry accurately predict the shapes of simple molecules such as methane CH 4 , water H 2 0 , or ammonia NH 3.



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