HKDSE Chemistry

Microscopic World II
II. Shape of Simple Molecules
III. Giant Covalent Structures

R. Kwok B.Sc.(HKU), P.C.Ed.(HKU)

& The Super-Chemistry Team

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HKDSE Chemistry
Microscopic World II R. Kwok
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Microscopic World II

Shape of simple molecules and polyatomic ions

Since covalent bonds are directional, they have particular spatial arrangement in a molecule,
giving molecules a particular shape.

The shape of a molecule can be predicted by the “Valence Bond Theory”, but there is a
simpler method called the “VSEPR Theory” or simply “electron pairs repulsion theory”.

VSEPR stands for Valence Shell Electron Pairs Repulsion.

Main points of the VSEPR theory

(1) In the VSEPR Theory, electron pairs (bond pairs and lone pairs) in the outermost
shell of the central atom of a molecule are considered as electron clouds. They will
repel each other and so tend to stay as far apart from each other as possible in order
to minimize the repulsion.

(2) Thus 2 electron pairs will give a linear arrangement, 3 electrons pairs will give a
trigonal planar arrangement, 4 electron pairs will give a tetrahedral arrangement …
etc.

(3) The magnitude of repulsion between lone pairs and bond pairs in the central atom are
different. In general:

lone pair – lone pair lone pair – bond pair bond pair – bond
Ŀġ Ŀġ
repulsion repulsion pair repulsion

Explanation:
Lone pairs are closer to the nucleus of the central atom than the bond pairs. The
reason is: bond pairs are pulled by the two nuclei of the bonded atoms and so are
farther away from the nucleus than the lone pairs. So the repulsion between the
electron pairs will be in the above order.

Once the spatial arrangement of the electron pairs is worked out by the VSEPR theory, the
shape of the molecule is obtained by joining the positions of the atoms in the molecule.

Remember: Only the positions of the atoms are considered when talking about molecular
shape. So, the shape of the molecule may not be the same as the spatial arrangement of the
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HKDSE Chemistry
Microscopic World II R. Kwok
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electron pairs.

The following table summarizes the spatial arrangements of different number of electron
clouds and the shapes of some corresponding molecules.

No. of e- Spatial arrangement Examples of No. of Shape of molecule

-
pairs of e pairs molecules lone
pairs
2 linear BeCl2, CO2 0 Linear

3 trigonal planar BCl3, SO3 0 trigonal planar

SO2 1 V-shaped

4 tetrahedral CH4, NH4+ 0 tetrahedral

H

N
H H

H
109.5O

NH3, PCl3 1 trigonal pyramidal

N P
H Cl
H Cl
H Cl

H2O, H2S, 2 V-shaped

SCl2, Cl2O

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Microscopic World II R. Kwok
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5 trigonal PCl5 0 trigonal bipyramidal

bipyramidal

SF4 1 distorted tetrahedral

F

F
S
F
F
ClF3 2 T-shaped

I3- 3 linear

6 octahedral SF6 0 octahedral

IF5 1 (distorted) square pyramidal

F
F F
I
F F

XeF4 2 square planar

F F
Xe
F F

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HKDSE Chemistry
Microscopic World II R. Kwok
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Note the following points:

Š The following symbols are used when drawing the shape of a molecule:

or lone pair of electrons

bond on the plane

of the paper

bond pointing back

into the paper
bond pair pointing
out of the paper

Š A multiple bond or an unpaired electron are regarded as a single electron cloud when
considering repulsion. The following two examples, HCN and NO2, illustrate this point.

Q. Draw the electron diagram of the above two molecules.

HCN NO2

Thus in H − C ≡ N , two electron clouds are repelling each other, giving the molecule a
linear shape.

In NO2, ___________ electron clouds are repelling each other, giving the molecule a
____________ shape.

Š For 5 electron pairs, their arrangement is trigonal bipyramdial. If there are lone pairs, the
lone pairs occupy the equatorial position, not the axial position.

Why? _______________________________________________________________

Thus the shape of SF4 is distorted tetrahedral; ClF3 is T-shaped and I3- is linear shaped.

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HKDSE Chemistry
Microscopic World II R. Kwok
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Š For 6 electron pairs, their arrangement is octahedral. If there are lone pairs, the lone pairs
occupy the axial position, not the equatorial position.

Why? _______________________________________________________________

Thus the shape of IF5 is square pyramidal and that of XeF4 is square planar.

Exercise
For each of the following molecules,
(i) drawn its electron diagram, showing the outermost shell electrons only,
(ii) Predict and draw the shape of the molecule.

Molecule Electron diagram Shape of molecule

(1) N2O

(2) ICl2-

(3) SF2

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Molecule Electron diagram Shape of molecule

(4) CO32-

(5) SO42-

(6) BeH2

(7) SOCl2

(8) HOCl

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(9) O3

(10) NO3-

(11) NO2-

(12) IO3-

(13) IF4-

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Microscopic World II R. Kwok
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Giant Covalent Structures

Whereas simple molecular substances (such as oxygen, water, sugars etc.) are made up of discrete
molecules, giant covalent structures like diamond and graphite are not. They consist of a giant
3-dimentsional network of atoms that make up the crystal.

1. Diamond

(a) Bonding and structure of diamond

Electronic configuration of C: 2,4

To attain a stable octet electronic configuration, each carbon atom shares electrons with four other
carbon atoms, forming four single covalent bonds that arrange tetrahedrally with each other.

Thus in diamond, each carbon atom is bonded tetrahedrally to four other carbon atoms. Such
arrangement is repeated in 3 dimensions, forming a giant covalent network of atoms called ‘giant
covalent structure’. The following figure shows the structure of diamond.

Note the tetrahedral arrangement of the

carbon atoms. In the diagram, not all
bonds of carbon are drawn because the
figure shows only part of the whole giant
covalent structure.

Structure of diamond

How to draw the structure of diamond

Don't try to draw too much of the structure otherwise you may lose marks if you are wrong with
the details! The above figure is good enough for exam purpose.

Learn to draw the diagram given above by following the steps below:

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