Introduction to

Quantum Theory in
Chemistry
⮚ Quantum theory as a theory in
which both energy and matter have
characteristics of waves under
some conditions and characteristics
of particles under other conditions.
⮚ Quantum theories suggest that
energy comes in discrete packages
called quanta (or, in the case of
electromagnetic radiation, photons)
 Light propagates through space in
Overview the form of EM waves.
Visible light is a portion of light
which the eyes can detect. It also
consist of different colors, ROYGBIV,
each color has distinct
characteristics.
 Light waves can be describe in
terms of its
Amplitude is the distance
from the equilibrium point of x-
axis of a propagating wave.
Wavelength (λ) is the
distance between identical
points in successive cycles and
The frequency and wavelength
measured in nanometer(nm).
of wave is related to its
Frequency is the number of
speed(v)
cycle that waves make per unit
v=f λ
of time and expressed in Hertz
When travelling in vacuum
(Hz) or per second.
space the speed of light is
What does quantized energy?
If energy is liked an inclined
plane, then the value between the
point A and B is describes as
continuous. But when an energy is
liked a step then it can only
determine the values
corresponding to the steps. These
values would be in multiple of one
steps thus energy is quantized.
Quantum Theory

It states that light travels in bundles of

energy, and each bundle is known as a
photon. Each photon carries a
quantity(quantized) of energy equal to
the product of the frequency of
vibration of that photon and Planck's
constant.
Niels Bohr, Danish scientist, used the quantum theory to improve
Rutherford models atom. He proposed that when an atom absorbs energy,
electrons jump from another orbit with higher energy, thus it is in a “excited
state”. After all, the electrons fall back into ground state after releasing
energy in the form of light-photon. Thus the electron absorbs sufficient
amount of quantized energy to be promoted. This process refers to electron
What happens behind the
fireworks?
When a firework is ignited, it
releases a mixture of chemicals that
react with each other to produce
heat, light, and sound. The different
chemicals then produce different
colors of light because of the way
their electrons interact with each
other.

Electrons exist in certain energy

levels, and when they are excited by
the heat of the firework, they jump
to a higher energy level. As they fall
The color of the light that is emitted depends on the
difference in energy between the two energy levels.
For example, strontium produces a red color
because its electrons have a relatively low energy
level. When these electrons are excited by the heat
of the firework, they jump to a higher energy level
that is only slightly higher than their ground state.
As they fall back to their ground state, they emit
red light.
Schrodinger equation and wave
function
Werner Heisenberg, German physicist,
proposed the uncertainty principle,
stating that the electron is considered to
be travelling at quantum speeds like a
wave, then it is impossible to
simultaneously determine its exact
location and momentum t a particular
time.
In 1926, E. Schrodinger, Austrian
It is a region around
the nucleus where
electrons are most
likely found.
These atomic orbitals
can be s, p, d or f and
vary according to
their shape.
In wave mechanics theory, the
distribution of the electrons of an
atom is divided into energy
level/shells.
Each shell is divided into subshells.
The subshells are divided into
orbitals, in which electrons are
located.
Each electron of an atom is
identified by the combination of
four quantum numbers.
The principal quantum number - Identifies the main
energy level in which the electrons belong
- The value of an n is a positive integer: 1,2,3
- Therefore, the first main energy level the n value
is 1, the second n is 2 and so on
Each energy level, or shell, is divided into sublevels
The terms sublevel and subshell are used
interchangeably. The sublevels are represented by Energy Level Sublevels
n=1 s
the letters s, p, d, and f. Each energy level has certain n=2 s and p
sublevels. The chart shows the sublevels that make n=3 s, p, and d
n=4 s, p, d, and f
up the first four energy levels.
The Azimuthal Quantum Numbers, l
- The azimuthal quantum number (l)
specifies the sublevel or subshell within a Azimuthal Quantum
Numbers And Their
particular principal energy level. Orbital Type
- This quantum number represents the kind l Orbital
and shape of the orbital (s,p,d, or f) that 0 s
being occupied by an electron. 1 p
- 1 value is determined by the value of n it 2 d
may have a value of 0 to (n-1). 3 f
- The l values corresponding to the type of
orbitals are shown in the table below:
. The Magnetic Quantum Number, ml
- It indicates the specific orbital within the sublevel where the electron is found.
- It can have-values of – l to + l.
- It can also give the number of orbitals in a sublevel and the spatial orientation of
these orbitals.

For example: In the first principal energy level (n= 1), l can only have a value of
zero, which corresponds to an s subshell. The magnetic quantum number can thus
have only one value, ml = 0, indicating that there is only one s orbital. In the second
principal energy level (n = 2), l can have values of 0 and 1. This means that in this
energy level, there are s and p subshells. Unlike the s subshell, the p subshell can
have magnetic quantum number values of – 1, 0, +1, which correspond to the three p
orbitals.
 Spin Quantum Number
- According to the Pauli exclusion principle, only a maximum of two electrons
can occupy an orbital, and they must have opposite spins to minimize repulsion
between them. This principle is observed through the spin quantum numbers,
which can only have values of + ½ or – ½ for each electron. This quantum
number describes the intrinsic spin of the electron in the orbital.
- As a rule, no two electrons in an atom can have the same set of quantum
numbers. For example, in the 1s orbital, each electron has the same n, l, and ml,
but different ms.
n=1 n=1
l= 0 l=0
ml = 0 ml = 0
ms = + ½ ms = - ½
ELECTRON CONFIGURATION AND ORBITAL DIAGRAM
Each electron in an atom has a unique set of quantum numbers.
How these electrons are distributed among the orbitals in an
atom in given by the electron configuration. In writing electron
configurations, each orbital and the electron (s) it holds are
represented as

1s2 Number of electrons

Energy level Orbital
Orbital diagrams and
electron configurations
of the first five
elements in the
periodic table
(hydrogen to boron)
 Hund’s rule of maximum
multiplicity, which states that
for degenerate orbitals
(orbitals with similar energies
such as the three p orbitals), the
electrons will singly occupy each
orbital and with parallel spins
before they are pair up. The
same is true for the d and f
orbitals. This pairing up rule
gives the atom the most stable
distribution of its electrons, just
like how the Aufbau principle
Hund’s rule is
followed as
electrons occupy
the three p orbitals
from carbon to
neon.
Valence shell is the outermost energy level of an atom an the
electron shells are occupied these shells are called valence
electrons
Closed shells are the inner shells that are completely filled
 How to determine quantum number

Rules to follow how to determine the four quantum numbers:

Example: What are the four quantum numbers of Cl (Z = 17)

1. Prepare the electronic configuration of chlorine.

Cl = 1s22s22p63s23p5

2. Using this electronic configuration. Evaluate how many main energy levels it
has.

For chlorine, the highest main energy main energy level is 3, therefore, n = 3
 3. To determine its azimuthal quantum number, use this standard
method:
● Identify the position of the last electron loaded (differentiating
electron), in what sub-level?
● If is found on the s sublevel the value of l =0, p sublevel, l = 1, d
sublevel 1 = 2, f sublevel l = 3.
● For chlorine, the differentiating electron was loaded on p sublevel.
Therefore, l = 1.
Activiity
1. Determine the following
a. four quantum number of Fe=atomic number of 26. 4pts
b. Electron configuration 1pt

1. Determine the following :

a. Four quantum number of atomic number 18. 4pts.
b. Electron configuration 1pt.
c. Vallence electron and valence shell 2pts
d. What element is atomic number 18. 1pt