It’s All in the Shape: Discovering Molecular Geometry

Structure begets function. How molecules behave or interact with one another or other
molecules is an important part of chemistry. Molecular structure controls properties such as
solubility or boiling point. So let’s explore the simple world of molecular geometry.

It would be helpful to build some molecular models. If you have some toothpicks and clay,
playdough, or gummy bears, you can make some models - the clay or gummy bear will be the
central atom and the toothpicks will represent the electron pairs.

Predict the geometry for the three situations given in the table below. How do you think
electron pairs will behave towards each other? This behavior will control how they arrange
around a central atom depending on the number of electron pairs.

Number of electron Predict a possible What is the angle Are all the angles the
pairs around central arrangement - sketch between the electron same? If not, point
atom it! pairs? out the differences.

2 pairs

3 pairs

4 pairs

Beware of molecular roadkill (flattened molecules)!!!

Now electron pairs are repulsive to each other; hence, they minimize repulsion by maximizing
distance. They want to get away from each other! This is the basis of valence shell electron-

Discovering Molecular Geometry (2020 version, Sinex) 1

pair repulsion theory or VSEPR. Let’s see how well your predictions came out above and add
two more geometries to the list. Go to the following PhET html5 simulation:

https://phet.colorado.edu/sims/html/molecule-shapes-basics/latest/molecule-shapes-
basics_en.html

Click on the Model box as shown above. When the screenshot below opens, follow the
instructions below.

1. Click the “Remove All” button.

2. Check the Show Bond Angles Option
3. Check the Name Molecular Geometry

Now if you click the single bond (top entity in the Bonding box (upper right corner), you can
build the geometries in the table below around the central purple atom. WATCH carefully as
you do this and you will see repulsion in action!!! If you click and hold in the space away from
the boxes, you can rotate the molecule to examine the bond angles and general shape.

Number of electron Sketch the What is the angle Are all the angles the

Discovering Molecular Geometry (2020 version, Sinex) 2

 pairs around central arrangement of the between the electron same? If not, point
atom atoms pairs? out the differences.

2 pairs

Name of molecular
geometry:

3 pairs

Name of molecular
geometry:

4 pairs

Name of molecular
geometry:

5 pairs

Name of molecular
geometry:

6 pairs

Name of molecular
geometry:

Draw the Lewis dot structures for the molecules below.

BeCl2 BF3 CH4

Discovering Molecular Geometry (2020 version, Sinex) 3

 PCl5 SF6

The number of electron pairs on the central atom, first atom in each formula above,
determines the molecular geometry. Predict and illustrate the molecular geometries of the
structures above.

Click on the Real Molecules box at the bottom of the screen.

Check your predictions for the molecules. Did you get the correct answers? Revise your
illustration if needed. Some help with illustrations is on the next page!

To help with the illustration of the geometries, wedge diagrams, which are used in organic
chemistry, are introduced below. The solid triangular shape is in front of the plane of the paper
and the dashed triangular shape is in back of the plane of the paper.

Discovering Molecular Geometry (2020 version, Sinex) 4

On these three geometries, are there any opposite positions (place where atoms are 180 o
apart)? Circle them.

The trigonal bipyramidal geometry (tbp) needs a little further explanation before we go on.
This geometry has two distinct positions - axial (180o apart) and equatorial (120o apart). This
will be important later.

Here is a Google Slide with four movies (<30 seconds each) rotating the various geometries,
click the present button in the upper right and then click on the short movies to view. Click
here

Wedge diagrams created in ChemSketch.

Here are models of the ideal geometries that were just explored.

Discovering Molecular Geometry (2020 version, Sinex) 5

 Source: https://www.indigoinstruments.com/molecular_models/molymod/

For the following molecules, draw the Lewis dot structure and determine the geometry, and
sketch the molecules with all atoms identified using wedge diagrams if needed.

SiH4 AlCl3

SeF6 AsF5

Let’s do a little carbon chemistry, where you will run across double and triple bonds. Multiple
bonds are counted as one pair of electrons, so a single, double, or triple bond counts as one
pair.

Determine the geometry of each carbon in the structures below. Start with drawing the Lewis
dot structures for each molecule.

Discovering Molecular Geometry (2020 version, Sinex) 6

CO2 H2CO H2C=CH2 HC≡CH CO

Draw the 3D structure of acetic acid, CH3COOH (first carbon is tetrahedral, second carbon is
trigonal planar).

Determine the molecular geometry for the following three molecules:

CH4 NH3 H2 O

What is different about ammonia and water compared to methane? How do you illustrate
this? This is examined in the next activity.

Discovering Molecular Geometry (2020 version, Sinex) 7