“Dry Lab” Experiment: What is the shape of a molecule?
Note: Working with a partner or group will make this experiment go much faster
and is encouraged!
Information
While we write Lewis structures in two-dimensions, molecules exist in the three-dimensional
world. Their three-dimensional shape – based on the position of the nuclei in a molecule – is
significant for their interactions and reaction with other molecules. Molecules with covalent
bonds can be classified as linear, planar, or three-dimensional. All atoms in a linear molecule lie
on a single line. All atoms in a planar molecule are in the same plane, but not on a single line.
And any molecule that isn’t linear or planar is three-dimensional.
A Step-by-Step Method for Writing Lewis Structures
1. Write molecular skeleton (the first element in the formula, other than H, goes in the center).
2. Calculate the total number of valence electrons for all atoms in the compound (add extra for
negative charges, subtract for positive charges).
3. Use electron pairs to form a bond between each pair of atoms.
4. Arrange remaining electron pairs on outer atoms to satisfy octet rule (duet rule for H/He).
5. Any electron pairs “left over” (if any) are placed on central atom.
6. If central atom does not have octet rule satisfied, share electron pairs to make multiple bonds.
Example: Draw the Lewis Structure of SO2
Step 1 O S O
Step 2. valence electrons: 1 sulfur (6) + 2 oxygens (12) = 18 valence e– total
O S O
O S O
O S O
O S O
Step 3. (4 e– used, so 14 e– remain from original 18)
Step 4. (2 e– remain)
Step 5. (S does not have an octet, so share from either O)
Step 6.
Pre-Experiment Questions
1. Draw the best Lewis structure for each of the following molecules and ions. (For molecules
that can have more than one Lewis structure, draw only one.) Show all lone pairs.
a. H2O (water) d. NO3− (nitrate)
b. CH4 (methane) e. CO2 (carbon dioxide)
c. NH3 (ammonia) f. HCCH (acetylene)
2. Determine how many atoms the central atom is bonded to in each of these molecules. (For
HCCH, either carbon atom can be considered the central atom.) Determine how many pairs
of non-bonded electrons are around each central atom. Write this number next to each
Lewis structure you drew.
3. Predict whether each of the molecules in the previous question is linear, planar, or three-
dimensional (3D), and write your prediction next to each Lewis structure you drew.
General Protocol
This protocol is for visualizing the structure of a molecule. These visualizations are based on
information about how the atoms are bonded in the molecule, experimental data on molecular
structure, and calculations that minimize the energy of the molecule.
• Open a web browser and go to the Virtual Molecular Model Kit (VMK) at
([Link] Select the Model Kit App.
• On the left under the title Load Models, click the Name button and type the name of the
molecule. (Ignore any instructions that may provide you with a label other than the name of
the molecule to type in this box.) Click OK.
• After a few seconds, you should see a three-dimensional model of the molecule. You can
rotate this molecule by clicking and dragging.
• To optimize the structure for analysis, click the Optimize button (left side, Other Model
Actions, column 2, last button). The program will then calculate a low-energy structure for
the molecule.
• To measure a bond angle in the molecule, first click on the Angle button (right most column,
second button). Then click three atoms in succession. Make sure that the second atom you
click is the center atom in the bond angle you want to measure. When you click on the third
atom, the bond angle appears in white.
• You can clear the molecule of all notations, like bond angles, by clicking on the Clear/Reset
button (right side, left column, 3rd up from the bottom).
Information
For each molecule in the pre-experiment questions, you showed how many atoms the central
atom was bonded to. A bond between the central atom and any atom it is bonded to—single,
double, or triple—is a single bonding domain. You also recorded the number of lone pairs
around the central atoms. A lone pair of electrons is a single non-bonding domain.1 All the
electrons around a given atom in a Lewis structure can be characterized as being part of a
bonding domain or a non-bonding domain.
Experiment 1
Fill in the table below with values for all the compounds, using the general protocol above to
measure all possible bond angles and determine whether the molecule is linear, planar, or
three-dimensional (3D).
Share the workload! If you work with a partner or group, you may divide up the molecules so
that each person looks up at least 4 of the molecules, and then you may share the results with one
another. Make sure everyone fills in the entire table.
1 Molecules known as radicals have atoms with unpaired electrons. A single unpaired electron is also a
single non-bonding domain.
Number of Number of
Molecule bonding nonbonding Linear,
Lewis Bond domains domains
(formula and planar, or
structure angle(s) (central (central
name) 3D?
atom) atom)
H2O
water
CH4
methane
NH3
ammonia
NO3−
nitrate
CO2
carbon dioxide
HCCH
ethyne
CH3F
fluoromethane
HNNH
diazene
HCN
hydrogen
cyanide
CH3Cl
chloromethane
NH2F
fluoroamine
H2CCH2
ethene
CCl4 carbon
tetrachloride
Interpreting the Data
4. Based on the data in the table, compare your predictions in the pre-lab questions for whether
a molecule is linear, planar, or three-dimensional to what was observed in the visualization.
Note any predictions that were correct and any that differed from the visualization results.
5. Use a word or short phrase to describe the shape of each of these molecules. Don’t worry
about getting the correct “scientific” term – just use your own words.
a. CO2
b. H2O
c. NO3−
d. NH3.
6. Which quantity is the best predictor of the bond angle around a central atom? Circle your
answer, and explain your choice.
a. Number of bonding domains
b. Number of non-bonding domains
c. Total number of domains
7. Do electrons attract or repel each other? Do you expect bonding and non-bonding domains to
attract or repel each other?
8. Based on your answer to the previous question, provide an explanation of the shapes for the
carbon dioxide molecule, nitrate ion, and methane molecule.
Information
Electron domains repelling each other is a common explanation for the shapes of molecules. This
model is known as VSEPR (valence shell electron pair repulsion).
The electron geometry is the geometry defined by all the electron domains, bonding and
nonbonding, about a central atom. The possible electron geometries for central atoms with four
or fewer molecular domains are tetrahedral, linear, and trigonal planar.
The molecular shape is defined by the positions of the atoms, not the electron domains. The
possible molecular shapes for central atoms with four or fewer molecular domains are linear,
trigonal planar, tetrahedral, trigonal pyramidal, and bent. The definitions of these shapes are
as follows:
● linear: two or more atoms in a straight line
● trigonal planar: central atom bonded to three atoms and all atoms are in a plane
● tetrahedral: central atom bonded to four atoms; the four atoms are symmetrically (or
almost symmetrically) placed around the central atom
● trigonal pyramidal: central atom bonded to three atoms and all atoms are not in a plane;
the four atoms are symmetrically (or almost symmetrically) placed around the central
atom
● bent: central atom bonded to two atoms, but the shape isn’t linear. Note that there are
two possible bent shapes with different bond angles.
Interpreting the Data
10. Referring to the models in the visualization, identify one molecule that illustrates each
named molecular shape. Sketch each molecule below in a way that shows the shape.
11. Complete the following table.
Shape Number of
Number of non- Total
around Bond angle
bonding bonding number of Electron geometry
central range
domains domains domains
atom
Linear
Trigonal
planar
Tetrahedral
Trigonal
pyramidal
Bent 3
Bent 4
12. Describe how you would determine the shape around each central atom in a molecule.