2.

2 QUANTUM MECHANICAL MODEL

At the end of this topic students should be able to:-
a) Define the term orbital.
b) State all the four quantum numbers of an
electron in an orbital.
i. principal quantum number (n)
ii. angular momentum quantum number (ℓ)
iii. magnetic quantum number (m)
iv. electron spin quantum number (s)
c) Sketch the 3-D shape of s, p and d orbitals.
RELATED THEORIES OF ELECTRON
MOVEMENT

In reality, the electron does not

orbit the nucleus in a well-defined
path, this leads to the concept of
‘orbital’
http://www.chemguide.co.uk/atoms/properties/atomorbs.html

https://en.wikipedia.org/wiki/Atomic_orbital
 n=2 Bohr’s Atomic Model
electron Electron moves in a circular orbit of certain
n=1
radii with specific energy around the nucleus.
nucleus
(proton)

Heisenberg’s Uncertainty Principle

This would mean that at any moment, we
would know both the precise position
de Broglies Postulate and precise speed of the electron.

Suggested that light and matter

appear to have dual natures, that is,
both light and matter are wave-like
as well as particle-like
 ATOMIC ORBITAL

Erwin Scrodinger introduce quantum

mechanics to solve the problems of finding
electrons and the energy states of the
electron in an atom.

In quantum mechanics , an electron can be

found in a region or space known as orbital.
 ATOMIC ORBITAL

An orbital is a three-dimensional
region in space around the
nucleus where there is a high
probability of finding an electron.

An atomic orbital describes:

 Energy level
 Distribution of electron density in a region
 ELECTRON DENSITY
Can be pictures as electron cloud
 probability that an electron will be found in a
particular region of an atom
 THE ELECTRON CLOUD
The higher the electron density,
the higher the probability that an
electron may be found in that
region.

Cloud of electron in various orbitals

 QUANTUM NUMBER
Each of the electrons in an atom is described and
characterised by a set of 4 quantum numbers, namely;
Principal quantum number (n)
related to orbital size and energy

Angular momentum quantum number (ℓ)

related to orbital shape

Magnetic quantum number (m)

related to orbital orientation

Spin quantum number (s)

related to motion of electron
PRINCIPAL QUANTUM NUMBER (n)
n = positive integer: 1,2,3 …...
indicate the energy of an orbital in that
particular orbital.
 relative size of orbital
 relative distance of electron from nucleus
For an atom: n ↑ energy level ↑
Example: Orbital s
n 1 2 3 4

Energy increases
ANGULAR MOMENTUM QUANTUM NUMBER (ℓ)
Also called azimuthal / subsidiary / orbital
quantum number
ℓ = integer 0 to (n – 1)

Indicate shape of orbital

n determine ℓ

Numerical value of  Symbol Orbital shape

0 s spherical
1 p dumbbell
2 d cloverleaf
3 f
  is dependant on n. (i.e., 0   < n).

Example;
Principal quantum Angular momentum Shape of
number , n quantum number, ℓ orbital
1 0 S Orbital s
2 0 S
1 P
3 0 S
1 P
2 d Orbital p

Orbital d
MAGNETIC QUANTUM NUMBER (m)
Indicate orientation of orbital in the space
around the nucleus
m = integer from (–) ℓ through zero to (+) ℓ
ℓ determine m

Number of possible m values=2 ℓ + 1

EXAMPLE:

ℓ=0 m=0  1 orbital in s-subshell

ℓ=1 m = –1, 0 , +1  3 orbitals in p-subshell
ℓ=2 m = –2, –1, 0 , +1 , +2  5 orbitals in d-subshell
 Hierarchical relationship

Example
n=2 possible ℓ values = 0 , 1

ℓ=1 possible m values = – 1 , 0 , +1

ℓ=0 possible m values = 0

Hierarchical relationship
ELECTRON–SPIN QUANTUM NUMBER (s)
The value of s determines the direction of spinning motions
of an electron which is spinning on its own axes, as Earth
does.
The electron spin quantum number has a value of
+½ or –½
Two possible motions of an electron
 clockwise and anti–clockwise
 SET OF FOUR QUANTUM NUMBERS
 Each electron in an atom is described completely
by;
 a set of four quantum number n, ℓ, m, s
 n, ℓ, m  describes its orbital
s  describes its spin
(n, ℓ, m, s)
orbital size (energy), orbital shape, orbital orientation, e spin direction

( shell, subshell, orbital, electron spin )

How to write quantum set

EXAMPLE: H atom in orbital 1s

n = 1, ℓ = 0, m = 0, s = + ½ or – ½
Note: by convention, we assign 1st electron; +½
Set of four quantum number:
n=1, ℓ=0,m=0,s= + ½ or n=1, ℓ=0,m=0,s= - ½

Give one set of possible quantum numbers for an

electron in 2p orbitals
n=2, ℓ=1 ,m=0,s= + ½ or n=2, ℓ=1 ,m=0,s= - ½ or
n=2, ℓ=1 ,m=+1,s= + ½ or n=2, ℓ=1 ,m=+1,s= - ½ or
n=2, ℓ=1 ,m=-1,s= + ½ or n=2, ℓ=1 ,m=-1,s= - ½
 SHAPE OF ‘s’ ORBITAL
Spherical shape with nucleus at the center
2s orbital larger than 1s
 electron spend more time further from
the nucleus
Only have 1 orientation (ℓ = 0, m = 0)
ℓ = 0 (s orbitals at various ‘n’)

1s 2s 3s
 SHAPE OF ‘p’ ORBITAL
Has two regions (lobes) one on either side of
of nucleus  “dumb bell–shaped”
three p-orbital px, py and pz
Has a specific orientation in space
ℓ = 1, m = –1, 0, +1
As n increase, the p orbitals get larger
ℓ=1 p orbitals (sub-shell) at same ‘n’
z z z

x x x

y y y
2py 2px
2pz
 ℓ = 1 (p orbitals)

m = -1or 0 or +1 m = -1or 0 or +1 m = -1or 0 or +1

px: lies along x axis

they are identical
py: lies along y axis
in size, shape and energy
pz: lies along z axis

There is no simple relation between the values of

m and the x, y and z directions
EXAMPLE: 2px can take m values = –1 or 0 or +1
HOW TO SKETCH

ℓ=1 p orbitals (sub-shell) at same ‘n’

 SHAPE OF ‘d’ ORBITAL
ℓ = 2; m values: –2, –1, 0, +1, +2
 5 orbitals with different orientation:
d xy , dyz , dxz , dx2–y2 and d z2
d Z2 : two major lobes lie along z axis
and “donut-shaped” region at the center
dxy ,d yz, d xz and d x2–y2 :  “cloverleaf shape”

3dx2 - y 2 3dz2 3dxy 3dxz 3dyz

ℓ = 2 (d orbitals at same ‘n’)
 z
y X Z X

3dxy 3dxz 3dyz 3dx2 - y 2 3dz 2

 EXAMPLE – 01
What is the difference between 2px and 2py
orbital?

All the three orbital are identical in size, shape, and

energy.
They differ only in their orientation with respect
to each other.
 Exercise – 01

What is the difference between 1s and 2s

orbital?

ANS:The two orbits are identical in

shape.
They differ only in size and energy:
2s > 1s
 EXAMPLE – 02

What values of the angular momentum (ℓ) and

magnetic quantum number (m) are allowed
for a principle number (n) of 3?
At n=3;
Determining ℓ values:
n = 3, ℓ = 0, 1, 2

Determining m values:
ℓ = 0, m=0
ℓ = 1, m = –1, 0, +1
ℓ = 2, m = –2, –1, 0, +1, +2
 Exercise – 02
Give all possible m values for orbitals that have
each of the following:
a) ℓ = 2
b) n = 1
c) n = 6 ℓ = 3
ANS :
a) When ℓ = 2,
Possible values of m = –2, –1, 0, +1, +2
b) When n = 1 ℓ = 0
ℓ = 0 Possible values of m = 0
c) When n = 6 ℓ = 3
ℓ = 3 Possible values of m = –3, –2, –1, 0, +1, +2, +3
 Exercise – 03
Give all possible m values for orbitals that have
each of the following:
a) ℓ = 3
b) n = 2
c) n = 6 ℓ = 1

ANS:
a) m = –3, –2, –1, 0, +1, +2, +3
b) ℓ = 0, m = 0
ℓ = 1, m = –1, 0, +1
c) m = –1, 0, +1
SHELL, SUBSHELL & ORBITAL
Shell EXAMPLE:

Subshell 2p
Orbital

2px, 2py, 2pz

SHELL
Atom energy level, given by n value
n ↓ energy level ↓
probability electron being closer to nucleus↑

SUBSHELL
Atom energy sub–level., given by ℓ value
orbital shape  ℓ = 0 is an s subshell
ℓ=1 is a p subshell
ℓ=2 is a d subshell
ℓ=3 is an f subshell
EXAMPLE: Subshell with n = 2 , ℓ = 0  2s subshell
ORBITAL
Each allowed combination of n, ℓ and m values
specifies one atomic orbital
 size (energy), shape and spatial orientation

EXAMPLE:

2s subshell  n = 2, ℓ = 0, m = 0
 has only 1 orbital

2p subshell  n = 2, ℓ = 1, m = –1, 0, +1
 has 3 orbitals

3d subshell  n = 3, ℓ = 2, m = –2, –1, 0, +1, +2

 has 5 orbitals
 EXAMPLE – 03
What wrong with each of the following quantum
number designations and ℓ or subshell names?

n ℓ m name
1 1 0 1p
a)

4 3 +1 4d
b)

3 1 –2 3p
c)
 EXAMPLE – 03
What is wrong with each of the following quantum
number designations and ℓ or subshell names?
n ℓ m name

a)
1
X
0 1 0 1p a) n = 1, ℓ = 0 (only)
ℓ≠1
 only possible
subshell = 1s

b)
4 3 +1
X
44fd b) ℓ = 3 is f subshell not d
 the subshell should
be 4f

c)
3 1
X
–2
0 3p c) ℓ = 1 can only have

m≠–2
m = –1, 0, +1
 EXAMPLE – 04
Which of the following are permissible
combination of quantum numbers for an
electron in a hydrogen atom:
a) n = 2; ℓ = 1; m=1 allowed
b) n = 1; ℓ = 0; m = –1 Not allowed
c) n = 4; ℓ = 2; m = –2 allowed
d) n = 3; ℓ = 3; m=0 Not allowed

Vocabulary: permissible
that is or may be allowed
 EXAMPLE – 04
ANS :
a) n = 2; ℓ = 1; m = 1
When n = 2; ℓ = 0, 1

ℓ = 1; m = –1, 0, +1
So, the combination in a) is permissible.

b) n = 1; ℓ = 0; m = –1
When n = 1; ℓ = 0

ℓ = 0; m = 0 m ≠ –1
So, the combination in b) is not permissible.
 EXAMPLE – 04
c) n = 4; ℓ = 2; m = –2
When n = 4; ℓ = 0, 1, 2, 3

ℓ = 2; m = –2, –1, 0, +1, +2

So, the combination in c) is permissible.

d) n = 3; ℓ = 3; m = 0
When n = 3; ℓ = 0, 1, 2

ℓ ≠3
So, the combination in d) is not permissible.
 EXAMPLE – 05

An electron in an atom is in the n = 2 quantum

level. List possible values of ℓ and m that it
can have.

ANS:
ℓ=0, m=0
ℓ = 1 , m = –1, 0, +1
 EXAMPLE – 06
For the following subshells give the values
of the quantum numbers (n, ℓ, m) and the
number of orbitals in each subshell:
a) 3p
b) 6s
c) 5d
d) 4f
 EXAMPLE – 06
ANS :
a) 3p
n = 3, ℓ = 1 , m = –1 , 0 , +1 (3 orbitals)

b) 6s
n = 6, ℓ = 0 , m = 0 (1 orbital)

c) 5d
n = 5, ℓ = 2 , m = –2, –1 , 0 , +1, +2 (5 orbitals)

d) 4f
n = 4, ℓ = 3 , m = –3, –2, –1, 0, +1, +2, +3 (7 orbitals)
 EXAMPLE – 07

How many orbitals in an atom can have each

of the following designation:
a) 1s
b) 4d
c) 3p
d) n = 3
 EXAMPLE – 07

a) 1s
1 orbital

b) 4d
5 orbitals

c) 3p
3 orbitals

c) n = 3 3s and 3p and 3d orbitals

= (1 + 3 + 5) orbitals = 9 orbitals
 EXAMPLE – 08

List all the possible subshells and number of

orbitals associated with the principle quantum
number n=3.
 EXAMPLE – 08
ANS :
When n = 3; ℓ = 0, 1, 2,

n = 3; ℓ = 0  3s ( 1orbital)

n = 3; ℓ = 1  3p ( 3 orbitals)

n = 3; ℓ = 2  3d ( 5 orbitals)

Total: 9 orbitals
 EXAMPLE – 09

Write the four quantum number for an electron

in a 2p and 3d orbitals?

2p orbital: n = 2; ℓ = 1; m = +1
Each electron can have s values: –½ , +½
Set of four quantum numbers,

Two possible ways:

n= 2, ℓ=1, m=+1, s=+½ n=2, ℓ=1, m=+1, s= –½

 EXAMPLE – 09
3d orbital: n = 3; ℓ = 2

Possible m values: -2,–1, 0, +1,+2

Each electron can have s values: –½ or +½
Set of four quantum numbers,
Ten possible ways:
n=3, ℓ =2, m = 0, s = +½ n=3, ℓ =2, m = 0, s = -½

n=3, ℓ =2, m = -1, s = +½ n=3, ℓ =2, m = -1, s = -½

n=3, ℓ =2, m = +1, s = +½ n=3, ℓ =2, m = +1, s = -½

n=3, ℓ =2, m = -2, s = +½ n=3, ℓ =2, m = -2, s = -½
n=3, ℓ =2, m = +2, s = +½ n=3, ℓ =2, m = +2, s = -½
 Exercise – 04
Complete the table below

Principal Angular Orbital Momentum Number of Max number

quantum quantum desingnation quantum orbital in of electron
number,n number , ℓ number, m shell
1
2

3
 Exercise – 05

What are the n, ℓ and possible m values for

the 2p and 5f subshell?
 EXERCISE-07

On separated sets of axes, sketch the shapes of the following orbitals

a) 2px
b) 2pz
c) 3dxy
d) 3dx -y2
2

e) 3dz2
 PSPM 2013/ 2014

Bohr used the information from a line spectrum

of a hydrogen atom to explain the electronic
structure of a one electron system. A blue line in
the spectrum of hydrogen atom was observed as
a result of a transition of electron from the fourth
to the second shells of an atom. What is meant
by a line spectrum? Calculate the wavelength and
energy for this blue line. State two of Bohr’s
postulates.