QUANTUM MECHANICAL MODEL

BOHR’S MODEL

introduced the concept of definite energy

levels around the nucleus at which
electrons can be exactly located.
 LOUIE DE BROGLIE

followed the idea of Eistein that light

can also be thought of as a particle,
proposed that e- can also be a wave.
 ERWIN SCHRÖDINGER

He used the idea of Broglie to

develop an equation called wave
equation to describe H atom.
 WERNER KARL HEISENBERG

He used different mathematical

approach to the problem but
obtained equivalent results.
 WERNER KARL HEISENBERG
Uncertainty principle (fundamental
limitation) for a particle as small as
the e-, one cannot know exactly
where it is and at the same time
know its energy or how it is moving.
 MAIN ENERGY LEVELS OR SHELLS ,
SUBLEVELS OR SUBSHELLS AND ORBITALS
QUANTUM MECHANICAL MODEL

allows us to visualize the three

dimensional regions of space around the
nucleus of an atom.
allows the calculation of the probability of
finding an e- in a given position.
PROBABILITIES OF FINDING AN ELECTRON IN A REGION:

1. Electron probability distribution/

electron density diagram
the darker an area, the greater is the
probability of finding the electron in that
area
1. ELECTRON PROBABILITY DISTRIBUTION
1. ELECTRON PROBABILITY DISTRIBUTION
PROBABILITIES OF FINDING AN ELECTRON IN A REGION:

2. Boundary surface diagram

encloses a region of space where a region
may be found within a certain period of
time.
2. BOUNDARY SURFACE DIAGRAM
ORGANIZATION OF ROOMS IN A CONDOMINIUM OR APARTMENT
BUILDING

 Imagine a condominium consists of several

floors with each floor having one or more
apartments, and each apartment containing
one or more rooms.
 ELECTRON SHELL
 or a principal energy level, may be thought of as an orbit
followed by electrons around an atom's nucleus. The
closest shell to the nucleus is called the "1 shell" (also
called "K shell"), followed by the "2 shell" (or "L shell"),
then the "3 shell" (or "M shell"), and so on farther and
farther from the nucleus.
 MAIN ENERGY LEVEL NUMBER OF SUBLEVELS

1 (Lowest energy) 1

2 2

3 3

4 4

5 5
number of sublevels in the main energy
level is the same as the assigned number
for the main energy level. (s, p, d, f, g…..)
 MAIN ENERGY LEVEL NUMBER OF SUBLEVELS

1 (Lowest energy) 1s

2 2s, 2p

3 3s, 3p, 3d

4 4s, 4p, 4d, 4f

5 5s, 5p, 5d, 5f, 5g

SUBLEVELS NUMBER OF ORBITALS

s 1

p 3

d 5

f 7

g 9
S - ORBITAL
P - ORBITAL
D - ORBITAL
F - ORBITAL
QUANTUM NUMBERS
 according to Heisenberg’s uncertainty principle,
it is not possible to give the exact position of an
electron and its energy at the same time. But the
probability of finding the electron in an orbital of
given energy can be determined.
QUANTUM NUMBERS

n, l, m, ms
PRINCIPAL QUANTUM NUMBERS

 refers to the main energy level of an orbital.

 related to the total energy of the electron in an
atom and can have a value of any positive integer
beginning with 1
PRINCIPAL QUANTUM NUMBERS

 2n2 rule
Example:
the maximum number of electrons for an n value of
1 is 2(1)2 = 2; that for an n value of 2 is 2(2)2 = 8.
 the higher the n, the greater is the radial
distance (region where the electron is most
likely to be found extends out from the
nucleus).
AZIMUTHAL QUANTUM NUMBER

 angular momentum number or subsidiary number

 represents energy sublevels and can have values
beginning with zero and increasing until the integer
n-1 is reached.
AZIMUTHAL QUANTUM NUMBER

 If n = 5, then l = 0, 1, 2, 3, 4; the highest value that

l can have is 4 since 5-1= 4 if n is 5
AZIMUTHAL QUANTUM NUMBER

 defines the shapes of orbital.

 if l = 0, the orbital is spherical in shape, if l = 1, the
orbital is dumbbell- shaped, or polar(p) and so
on…
AZIMUTHAL QUANTUM NUMBER
l Sublevel Orbital Shape
0 s Spherical

1 p Dumbbell – shaped

2 d 4 cloverleaf- shaped
1 dumbbell- shaped
with a ring
3 f (too complex to
describe)
SUBLEVEL IN A PARTICULAR MAIN ENERGY LEVEL
n l Kind of Sublevel
1 0 1s
2 0 2s
2 1 2p
3 0 3s
3 1 3p
3 2 3d
MAGNETIC QUANTUM NUMBER

 describes the orientation of the orbital in

space and can have an integral value from – l
to +l, including 0.
sublevel l ml
s 0 0

p 1 -1, or +1

d 2 -2, -1, 0,+1, +2

MAGNETIC QUANTUM NUMBER

2l = 1
SPIN QUANTUM NUMBER
RULES GOVERNING THE COMBINATION OF QUANTUM NUMBERS

1. The quantum numbers n, l, ml are integers

2. The principal quantum number, n, cannot be
zero. Its lowest value is 1.
e.g. n = 1,2,3,4,5 and so on
RULES GOVERNING THE COMBINATION OF QUANTUM NUMBERS

3. The azimuthal quantum number, l, can have a

value from o to n – 1. The highest value it can
have depends on n.
If n is= 6, l can be 0,1,2,3,4,5
RULES GOVERNING THE COMBINATION OF QUANTUM NUMBERS

4. The magnetic quantum number, ml, can be any

integer from –l to + l
If l= 1, ml can be -1, 0, +1
RULES GOVERNING THE COMBINATION OF QUANTUM NUMBERS

5. The spin quantum number, ms, can only be

+1/2 or – ½. No values are allowed.
ELECTRON CONFIGURATION

it describes how the electrons are

distributed among the orbitals
AUFBAU PRINCIPLE

electrons fill the orbitals, one at a time,

starting with the lowest energy orbital
then proceeding to the one with higher
energy.
AUFBAU PRINCIPLE

If an atom is ‘excited’ e.g. by being heated,

one or more of its electrons may
temporarily be transferred to an orbital of
higher energy, but it will soon return to its
ground state.
AUFBAU PRINCIPLE

The lower the n+l, the lower is the energy

of the orbital.
If n+l values are equal, the one with the
lower n value has the lower energy.
AUFBAU PRINCIPLE
Orbital n l n+l

1s 1 0
2s 2 0
3d 3 2
4p 4 1
SELF- CHECK
1. For Each pair of orbitals below, choose which has the higher
energy. Show by computation.
a. 3s and 3p
b. 3d and 4f
c. 6s and 5d
2. Beyond 5p, write the rest of the orbitals up to 8s.
PAULI EXCLUSION PRINCIPLE

no two electrons in the same atom can

have the same set of four quantum
numbers
PAULI EXCLUSION PRINCIPLE

only two electrons may occupy an orbital,

and they have different spins.
HUND’S RULE

in filling up a set of degenerate orbitals,

the orbitals are occupied by one electron
at a time with the electrons having the
same spin (parallel spin in contrast to
opposite spin)
HUND’S RULE

in filling up a set of degenerate orbitals,

the orbitals are occupied by one electron
at a time with the electrons having the
same spin (parallel spin in contrast to
opposite spin)
HUND’S RULE

1. He – Z=2
2. C - Z= 6
3. Co - Z= 27