CHM 101 GENERAL CHEMISTRY I (2 Units)

Lecture 6 Lecturers: Mr. Ogundele, O.D.

Mrs. Ajobiewe, O.D.
THE WAVE MECHANICAL MODEL
The wave mechanical model (also called the quantum mechanical model) involves the use of
mathematical equation to describe the arrangement and motion of electrons in atoms. According to
Albert Einstein, light has both wave and particle like character. That is, matter has a dual nature. A
French physicist took up the idea that very small particles such as electrons might also display wave
properties.
In 1926, the Austrian Physicist – Erwin Schrodinger formulated wave-equation to describe the
location and energy of electrons. He incorporated the Bohr, Louis de Broglie and the Heisenberg
uncertainty principle concept and developed the wave mechanical model (Quantum mechanical
model). Unlike the Bohr model, the wave mechanical model does not propose that electrons are
localized in fixed orbits. In fact, it does not define the exact location (orbit) of an electron around a
nucleus. It describes the probability of finding can electron in a certain position at any time. If we
assume a cloud of electron round the nucleus, the cloud would be most dense where we have a
greater probability of finding an electron. Such regions where we could find an electron is called
an “orbital”. The electron cloud defines the shape of the orbital.

Energy Levels of an Atom

Electrons are arranged in energy level. As we have already known, electrons do not move in
fixed path, the Bohr orbit should not be confused with orbitals. Electrons with the lowest energy
level are found nearer the nucleus while electrons with higher energy are successively found further
away from the nucleus depending on the energy level of the electron. Each energy level referred
to as orbitals have a maximum number of electrons they can hold, the first energy level which is
closest to the nucleus can hold not more than two electrons. Let us consider the illustration below.

Figure 1: Energy level of an atom

Quantum Numbers
Quantum numbers are numbers used to completely describe the properties of the electrons
around a nucleus. These properties can be described in terms of four quantum numbers. There
are:
Principal Quantum Number: (n)
This describes the distance of an electron from the nucleus. The number is the same with that given
by Bohr. It describes the size and energy of the orbital. Principal quantum number (n) is assigned values
of integral numbers ranging from n = l, 2, 3, 4 and so on. The number of electrons that can occupy a given
energy level is given by 2n2. Orbitals with the same n-value are said to belong to the same energy level or
the same shell.
Azimuthal or Subsidiary or Angular Momentum Quantum Number: (L)
This number determines the shape of the subshells. The principal quantum energy shell is divided
into sub energy shells. Each sub shell corresponds to several electron cloud space. The energy of the
subshells increases as the value of N increases. Azimuthal quantum number has integral values ranging
from = 0, 1 2, 3 to n-1. It has the formular “n-1”. The subshells are designated as s, p, d, f and so on. The
subshells all have different energies. The energy of the subshells are in this order s<p<d<f.

Table 1: Summary of subshells, number of orbitals, shape of orbitals and their maximum number of
electrons

Subshell Number of Orbitals Shape of Orbitals Maximum No. of Electrons

S 1 Spherical 2
P 3 Dumbbell 6
D 5 Double Dumbbell 10
F 7 Complex 14

Figure 2: Shape of Orbitals

(a) The one s-orbitals

(b) The three p-orbitals

 (c) The five d-orbitals

Magnetic Quantum Number (ML)

This specifies the permitted orientation in space for an electron cloud. It gives the number of orbital types
in an energy level. And it has integral values of ML = -C --------0----------+C. That is, the number of orbital
in a sub shell is given by 2C + 1.

When C = 0, m = 0, which means that there is only one orientation, which is a spherical distribution (s-
sub level or s-orbital). When C = I, then ML = -l, 0, + 1, that is there are three permitted orientations.
When C = 2, then ML = -2, -l, 0, +1, +2 that is there are five permitted orientations The axes of these
dumb-bells shaped orbital lie at 90° to each other.

Spin quantum number(s): This does not arise from Schrodinger equation but comes from other
1 1
consideration. It gives the direction of electron spin on its axis. It has two values: +2 and - 2. This
means that an electron in a particular orbital has two permitted orientation of spin on its own axis,
1 1
opposite to one another s = + (for electron spinning in clockwise direction) and s = -
2 2

(for anticlockwise direction).

All the orbitals in a particular sub-shell are of equal energy. The energy gap between successive
shells gets smaller as the principal quantum number increases. This explains why the 3d orbital
which is an orbital in an inner shell is at a higher energy level than the 4s orbital in the next shell
further away from the nucleus but lower than the 4p orbitals.
Example 1: How many orbitals do we have in the second principal level n = 2?
Solution: The second principal energy level has 2 sub-shells: 2s and 2p orbitals. The 2s sub-shell
has one orbital, and the 2p sub-shell has 3 orbita1’s so in all, we have four orbitals in the second
principal level.

Electronic Configuration of Elements

Electron configuration of an element is the arrangement of electrons in its atomic orbital when it
is at the ground state. In order to understand how electrons are arranged in orbitals. It is necessary
to understand some basic principles. These principles are discussed below;

a) Heisenberg Uncertainty Principle

This principle states that it is impossible to know simultaneously at the same time the exact
position and momentum of small particles like electrons.

b) Pauli’s Exclusion Principle

This principle states that in an atom of many electrons, no two electrons in that atom can behave
identically or have the same set of all the four quantum numbers. That is, even if the principal
quantum number, subsidiary quantum number and the magnetic quantum number, are identical. The
spin quantum number must have opposite spin on its axis. That is the spin must be clockwise and
anticlockwise.
This is used to represent an electron and its direction of spin ↑
While an orbital containing an electron pair is represented as ↓↑

c) Hund’s Rule
This states that electrons will singly occupy orbitals of equal energy (degenerate orbitals) until
all the orbitals contain one electron each with parallel spins before pairing with opposite spin.

↓↑ ↓↑ ↑ ↑ ↑
1s 2s 2px 2py 2pz

d) Aufbau’s Principle or Building - Up Principle

The Aufbau’s principle is:
1. Electrons go into orbital with the lowest energy before occupying higher energy
level
 2. The Pauli’s exclusion principle (two versions).
(a) It is impossible for two electrons in the same orbital to have the same or
identical spin quantum number.
(b) An orbital can contain a maximum of two electrons.
3. Electrons will fill a set of degenerate orbital singly with parallel spin before pairing
with opposite spin.
Finally, electron structures are shown by writing down the list of orbitals, with number of electrons
in each orbital shown as a superscript e.g. the 9 electrons in a fluorine atom can be arranged in the
order 1s2 2s2 2p5. This order is referred to as electronic configuration of F.
By following the arrows in figure 3 below, it will help you work out the correct order of
orbitals in the electron structures and thus write the electronic configuration of elements once
you know the atomic number

Figure 3: Order of orbitals in the electron structures.

Table 3: The electronic configuration of the first 10 elements of the periodic table

Atomic Element Electronic configuration

1 H 1s1
2 He 1s2
3 Li 1s2 2s1
4 Be 1s2 2s2
5 B 1s2 2s2 2p1
 6 C 1s2 2s2 2p2
7 N 1s2 2s2 2p3
8 O 1s2 2s2 2p4
9 F 1s2 2s2 2p5
10 Ne 1s2 2s2 2p6

From the table above, Helium and Neon both have their outermost s orbital and p orbital filled. This
makes them very stable and they are referred to as noble gases. The next element sodium begins the
filling of the next energy level n = 3.
The electronic configuration of Neon 1s2 2s22p6can also be represented in a box diagram as:
1s 2s 2p
↓↑ ↓↑ ↓↑ ↓↑ ↓↑

In Neon all the orbitals are filled.

Sodium has atomic number of 11, so the electronic configuration is written as ls2 2s3 2p6 3s1 The 3s
orbital has one unpaired electron.
Magnesium has atomic number of 12, its electronic configuration is written as ls2 2s2 2p6 3s2
Aluminum has atomic number of 13, its electronic configuration is written as ls2 2s2 2p6 3s2 3p1
2 2
Silicon is the next with atomic number of 14, its electronic configuration is written as ls 2 2s2 2p6 3s 3p
One electron is added to the 3p orbitals as atomic number of the elements increases until the 3p orbitals
of Argon with atomic number 18 is completely filled. The next element is potassium, the electrons do
not enter the 3d orbital instead it goes into the 4s orbital because the energy of the 3d orbital is
slightly higher than that of the 4s orbital but lower than the 4p orbital. It then follows that the 4s
orbital has to be completely filled before the 3d orbitals are filled. It then follows that the electronic
configuration of K is written as 1s2 2s2 2p6 3s2 3p6 4s1 3d5
Perfectly half-filled or completely filled orbitals confer stability on atoms. Since atoms strive towards
stability, an atom like Cr would prefer to have a half filled 3d orbital and the electronic configuration

which is supposed to be 1s2 2s2 2p6 3s2 3p6 4s2 3d4 then becomes 1s2 2s2 2p6 3s2 3p64s1 3d5

Hybridization of Atomic Orbital

Some atoms form covalent bonds that are different from what their electronic configuration
suggests. When these bonds are formed between atoms, there is a change in the nature of the Atomic
Orbitals in each atom. This peculiar bonding character can be explained with the concept called
hybridization. It involves combining a number of orbitals to create a set of an equal number of new
orbitals, where each of the new hybrid orbitals has properties which are an average of those of
the orbitals from which they were created.
Thus, hybridization is a process whereby the orbitals of an atom (usually a central atom) interact to
get a set of equivalent orbital called the HYBRID ORBITAL. Hybridization can also be defined
as the mixing or overlapping of orbital of an atom to give a set of equivalent orbitals known as hybrid
orbital. The hybrid orbital shows characteristics of both atomic orbitals.
A number of different types of hybrid orbitals are known for elements. These hybrid orbitals and the
shape of the resulting molecules are given in table 4 below. However, only a few of the hybrid orbitals
will be discussed here.
Table 4: Hybrid orbitals types in coordination compounds
Atomic Orbitals Hybrid Type Numbers of Structure
Orbitals
Sp Sp 2 Linear
Sd Sd 2 Linear
Spp sp2 3 Trigonal planar
Sppp sp3 4 Tetrahedral
Dspp dsp2 4 Square planar
Dsppp dsp3 5 Trigonal bipyramid
Sppdd sp2d2 5 Square-base bipyramid
Ddsppp d2sp3 6 Octahedral
Spppdd sp3d2 6 Octahedral

sp-Hybridisation
In considering the shape of a hybridized orbital, the electronic configuration of the central atom must
be known. Let’s consider BeCl2; the central atom is Be, and its ground state electronic configuration is;
Be = 1s2 2s2
Beryllium has to be excited to generate orbitals to accommodate the two chlorine atoms. Thus if energy
is supplied to raise one of the 2s electrons to a higher energy level the excited state electronic
configuration of Be will be;
Be* = 1s2 2s1 2p1
More specifically, the electronic configuration of the excited beryllium atom can be written as;
Be* =
1s2 2s1 2px1 2py 2pz
And the excited state valence shell electronic configuration is;
Be* = 2s1 2px1 2py 2pz
The two chlorine atoms will be accommodated in the 2s and 2px orbitals created as a result of
the excitation. One would expect that one chlorine atom would occupy the 2s 1 orbital while the
other would occupy 2px1 orbital, making two non-equivalent BeCl2 hybrids. However, the two
BeCl2 bonds formed are identical in every respect, indicating that the 2s and 2p orbitals mixed
(hybridized) to form two equivalent sp hybrids orbital.
Also, because one s and one p orbital are used in the hybridization, the shape of the molecule
will be a linear geometry.

sp2-Hybridisation
For this, we are going to consider boron trifloride (BF3). Here the central atom is boron (B) and its
ground state (i.e. the lowest energy state) electronic configuration of boron is;
B = 1s2 2s2 2p1
Boron has to be excited to generate orbitals to accommodate all the three fluorine atoms. Thus if
energy is supplied to raise one of the 2s electrons to a higher energy level the excited state electronic
configuration of Be will be;
B*=1s2 2s1 2p2
But more specifically, the electronic configuration of the excited beryllium atom can be written as;
B* =
1s2 2s1 2px1 2py 2pz
And the excited state valence shell electronic configuration is:

B* =
2s1 2px1 2py 2pz
The three fluorine atoms will be accommodated in the 2s1, 2px1 and 2py1 orbital created as a
result of the excitation. One would expect three non- equivalent BF3 hybrids. However, the
three BF3 bonds formed are identical in every respect, indicating that the 2s, 2px and 2py orbitals
mixed (hybridized) to form three equivalent sp2 hybrids orbital.
Also, because one s and two p (sp2) orbitals were used in the hybridization the shape of the molecule
will be a triangular planar. The three sp2 orbitals lie in a plane with an angle 120° between any
two.

Sp3-Hybridisation
Here, we will be considering methane (CH4). The central atom is carbon (C) and its ground state
(i.e. the lowest energy state) electronic configuration is:
C = 1s2 2s2 2p2
Carbon has to be excited to generate orbitals to accommodate the four hydrogen atoms. Thus if
energy is supplied to raise one of the 2s electrons and one of the 2p electrons to a higher energy
level, the excited state electronic configuration of C will be;
C* = 1s2 2s1 2p3

But more specifically, the electronic configuration of the excited carbon atom can be written as;
C* =
1s2 2s1 2px1 2py1 2pz1
And the excited state valence shell electronic configuration is;
C* =
2s1 2px1 2py1 2pz1
The four hydrogen atoms will be accommodated in the 2s1, 2px1, 2py1 and 2pz1 orbitals created as a
result of the excitation. Four CH4 bonds are formed which are identical in every respect, indicating
that the 2s, 2px, 2py and 2pz orbitals mixed (hybridized) to form the four equivalent sp3 hybrids
orbital.
Also, because one s and three p (sp3) orbitals were used in the hybridization, the shape of the
molecule will be a tetrahedral. All the hydrogen carbon hydrogen angles are 109.5°
It is interesting to note that hybrid formed by only using the s and the p (i.e. sp1, sp2 and sp3)
orbitals in molecule complies with the octet rule. This is because regardless of the type of
hybridization in an atom involving one s and three p orbitals will be four orbitals which is
enough to accommodate a total of eight electrons in a compound. However, the octet rule does
not hold in some molecules where the atom may use the d orbital in addition to the s and p
orbitals to form hybrid orbitals.