Unit-1 & 2

(Quantum Chemistry & Chemical Bonding)

Dr. Tapas Goswami

1
 Syllabus

1. Introduction to quantum theory for chemical

systems: Schrodinger equation, Applications to
Free electron molecular orbital model, Hydrogen
atom, Atomic orbitals, many electron atoms

2. Chemical bonding in molecules: MO theory,

Structure, bonding and energy levels of bonding
and shapes of many atom molecules,
Coordination Chemistry, Electronic spectra and
magnetic properties of complexes with relevance
to bio-inorganic chemistry, organometallic
chemistry 2
 Objective

Understand the properties and suitability of materials

3
 Why Quantum Chemistry?

1. Basis for understanding chemical bonding at

the molecular level
2. Basis for understanding interaction between
molecules
3. Basis for understanding interaction of
molecules with electromagnetic radiation
(spectroscopy)

4
 The Origins of the quantum theory
• Failure of Rutherford’s theory
Rutherford’s Theory: A very small positive nucleus was considered surrounded by electrons. Such a system
can not be stable if the electrons were at rest. Therefore it was proposed that the electrons were moving in
circular orbits around the nucleus so that the Coulombic attraction between the nucleus and the electron was
equal to the centrifugal force on the electron.

The Rutherford model was not in conformity with the classical model of
electromagnetic radiation. A moving charged particle will emit
radiation, will then lose kinetic energy and eventually will hit the
nucleus and perish.

• Black body radiation

• Photoelectric effect: Metals emit electrons only when it is excited by

light of wavelength shorter than some wavelength.

• Line spectrum: Failure of classical electromagnetic wave theory to

explain the line spectrum of element. 5
Mystery #1, “Black Body Problem”:
Black body: a perfect absorber of radiation; object appears black when cold and emits a
temperature dependent spectrum of light
Observations:

Energy is gained
and lost in whole
numbers

Intensity and
frequency (color)
of radiation
depend on
temperature

Frequency dependence of radiation from a heated body

Classical Physics couldn’t explain it : 6
Solved by Planck with a Quantum Theory (1900)
 Planck’s Quantum theory of EM waves

Light energy is transmitted in discrete “packets”

(photons) called quanta (singular is quantum)

The energy of one quantum:

E=hn
h = Planck’s constant

6.63 x 10-34 J·s

Niels Bohr and Max Planck at MIT

What’s nature of light?
According to classical physics, it is a wave because of the
following properties.

• Reflection
• Refraction
• Diffraction: a result of interference

However, the wave nature of light couldn’t

explain the photoelectric effect.

8
Mystery #2, “Photoelectric Effect”
Solved by Einstein in 1905 hn

Electrical Current generated by light:

Presence of the Threshold frequency
KE e-
Absence of Time Lag

Light has both:

1. wave nature
2. particle nature

E = hn
Photon is a “particle” of light

hn = KE + hn0
Alkali metals works the best. hn = KE + BE
½ mv2 = hn - BE 9
 Numerical problems
1. The minimum energy required to remove an electron from a cesium metal surface is
13.24×10-19J. Determine the minimum frequency of light that can produce a photoelectric
current from Cs metal.
A. 0.5×109 MHz
B. 1.25×109 MHz
C. 2×109 MHz
D. 2.95×109 MHz

2. When a beam of light strikes a gold surface (φ=5.1 eV), electrons are ejected with a
maximum kinetic energy of 6.3 eV. What is the energy of the incident light?

A. Ei= -1.2 eV
B. Ei= 11.4 eV
C. Ei= 1.2 eV
D. Ei= 5.1 eV

3. The first ionisation potential of rubidium is 96.4kcal/mole. What will be the lowest
frequency of light that can ionise a rubidium atom?

10
Continuous Spectrum
vs.
Line Spectrum
 Sources for light emission

Light emitted by an electric discharge through (a) hydrogen gas and (b) helium
gas. Light emitted when compounds of the alkali metals are excited in gas
flames (c) lithium, (d) sodium and (e) potassium

12
Mystery #3: Line Emission Spectrum of H Atoms
HOW are they generated?

(396) 410 434 496 656 .

Johann Balmer (1825-1989) solved the jigsaw puzzle
1 1
ν=𝑅 −
𝑛𝑖 2 𝑛𝑓 2 13
Radii of Bohr orbits: Bohr’s model is shown in Fig.1. the nucleus has mass m’ and the electron has mass m. the radius of
the circular orbit is denoted by r and the linear velocity of the electron by v. in order that the orbit be
stable, the centrifugal force exerted by the moving electron must equal the attractive force between
the nucleus and the electron. Two attractive forces are in operation- one being the electric force of
attraction, the other being the gravitational force of attraction. However the gravitational force is
comparatively weak and can be neglected.
𝑚𝑣 2 𝑒2
Then, centrifugal force= ; electric force of attraction=𝑟 2
𝑟
𝑚𝑣 2 𝑒2 𝑒2 2
And 𝑟 = 𝑟 2 ; ∴ 𝑟 =𝑚𝑣
The energy of an electron moving in one such Bohr orbit can now be calculated remembering that the
total energy is the sum of the kinetic energy T and the potential energy V. Thus:

1
T=2 𝑚𝑣 2 and V is the energy due to electric attraction and is given by
𝑟 2
Fig.1: Bohr’s model of the 𝑒 𝑒2
𝑉 = න 2 𝑑𝑟 = −
∞𝑟 𝑟
hydrogen atom 1 𝑒2 1 1 𝑒2
Thus the total energy 𝐸 = 2 𝑚𝑣 2 − 𝑟 = 2 𝑚𝑣 2 − 𝑚𝑣 2 = − 2 𝑚𝑣 2 = − 2𝑟
The energy can thus be calculated provided we know the value of r. if r is varied from zero to infinity
all energies will be allowed. If this were the case the spectrum of hydrogen atom would have been a
continuous spectrum instead of a line spectrum.

Now Bohr made a remarkable suggestion that the angular momentum of the system, equal to mvr,
can assume only certain definite values or quanta.
ℎ
𝑚𝑣𝑟 = 𝑛 2𝜋 where n can have values 1, 2, 3,………..∞; the v is given by
ℎ
𝑣 = 𝑛 2𝜋𝑚𝑟
𝑒2 𝑚𝑛2 ℎ2 𝑛2 ℎ 2
Then = 𝑚𝑣 2 = 4𝜋2 𝑚2 𝑟 2 = 4𝜋2𝑚𝑟 2
𝑟
𝑛2 ℎ 2 ℎ2
And 𝑟 = 4𝜋2 𝑚𝑒 2=𝑛2 𝑎0 𝑤ℎ𝑒𝑟𝑒 𝑎0 = 4𝜋2 𝑚𝑒 2

We thus have a solution for the radius of the permitted electron orbits in terms of the quantum
number n. taking n=1, the radius of the first stationary Bohr orbit is:
ℎ2
𝑟= 2 2
4𝜋 𝑚𝑒
14
Velocity of the electron in Bohr orbits:
We have the following relations:
ℎ 𝑛2 ℎ2
𝑚𝑣𝑟 = 𝑛 2𝜋 and 𝑟 = 4𝜋2𝑚𝑒 2
ℎ ℎ 4𝜋2 𝑚𝑒 2 2𝜋𝑒 2
Then 𝑣 = 𝑛 2𝜋𝑚𝑟=𝑛 2𝜋𝑚 × = 𝑛ℎ
𝑛2 ℎ 2
Energy of an electron in Bohr orbits:
The energy associated with the permitted orbits is given by:
𝑒2 2𝜋 2 𝑚𝑒 4
𝐸=− =− 2 2
2𝑟 𝑛 ℎ
As n increases the energy becomes less negative and hence the system becomes less stable.
Also note that with increasing n, the radius r, also increases. Thus increasing r also makes the
orbit less stable.
The explanation of the Rydberg equation is now simple.
The energy corresponding to a particular line in the emission spectrum of the hydrogen atom is
the energy difference between an initial state I and a final state II, so that
𝐸 = 𝐸𝐼𝐼 − 𝐸𝐼
2
2𝜋 𝑚𝑒 4 2𝜋 2 𝑚𝑒 4 2𝜋 2 𝑚𝑒 4 1 1
𝐸=− − − = −
𝑛𝑓 2 ℎ2 𝑛𝑖 2 ℎ2 ℎ2 𝑛𝑖 2 𝑛𝑓 2
The ν corresponding to the energy E is given by
𝐸 2𝜋2 𝑚𝑒 4 1 1 1 1
ν=ℎ= −𝑛 =𝑅 −𝑛 where R is the Rydberg constant.
ℎ3 𝑛𝑖 2 𝑓
2 𝑛𝑖 2 𝑓
2

The relation tells us that as we go to higher and still higher orbits the energy gap between two
intermediate orbits continues to decrease. 15
 Bohr’s Model of
the Atom (1913)
1. e- can only have specific (quantized)
energy values
2. light is emitted as e- moves from one
energy level to a lower energy level
Neils Bohr

1
En = -RH ( n2 )
n (principal quantum number) = 1,2,3,…
RH (Rydberg constant) = 2.18 x 10-18J

16
 ni = 3 ni = 3 Ephoton = DE = Ef - Ei
1
Ef = -RH ( 2 )
ni = 2
nf
1
nf = 2
Ei = -RH ( 2 )
ni
1 1
DE = RH ( 2 )
ni n2f

nnf f==11

17
Example - Calculate the wavelength of light emitted when
the hydrogen electron transitions from n = 6 to n = 5
Given: ni = 6, nf = 5
Find: 
Concept Plan: n , n DEatom Ephoton 
i f
 1  h c
E  R H  2  DEatom = -Ephoton 
n  E
Relationships: E=hc/, En = -2.18 x 10-18 J (1/n2)
Solve: DE 18  1 1   20
atom   2.18  10 J  2  2 
 2.66 44  10 J
5 6 
Ephoton = -(-2.6644 x 10-20 J)
= 2.6644 x 10-20 J
hc 6.626 10
 
3.00 10 
34
Js
 7.46 10
8 m
6
2.6644 10 
s
-20
m
E J

Check: the unit is correct, the wavelength is in the infrared, which

is appropriate because less energy than 4→2 (in the visible)
Calculate the wavelength of light emitted when the hydrogen
electron transitions from n = 2 to n = 1
Given: ni = 2, nf = 1
Find: 
Concept Plan: n , n DEatom Ephoton 
i f
 1  h c
E  R H  2  DEatom = -Ephoton 
n  E
Relationships: E=hc/, En = -2.18 x 10-18 J (1/n2)
Solve: 18  1 1 
DE atom  2.18 10 J 2  2   1.64 10 18 J
1 2 
Ephoton = -(-1.64 x 10-18 J) =
1.64 x 10-18 J
hc 6.626 10
 
3.00 10 
34
Js
 1.2110
8 m
7
1.64 10 
s
-18
m
E J

Check: the unit is correct, the wavelength is in the UV, which is

appropriate because more energy than 3→2 (in the visible)
 LIGHT EMISSION OF SODIUM ATOM

Line spectrum
From Bohr model to Quantum mechanics

Bohr’s theory was a great accomplishment and radically

changed our view of matter.

But problems existed with Bohr theory —

 theory only successful for the H atom and the theory
failed in more complicated many electron systems.
 introduced quantum idea artificially.
 By precisely stating the radius of the orbits the theory
was in conflict with Heisenberg uncertainty principles.

• So, we go on to QUANTUM or WAVE MECHANICS

13/9/2016 21
De-Broglie- Scientist who proved everything is a
wave If light behaves as particles. Electron which is a particle
can behave like waves.
"With every particle of matter with mass m and velocity v
a real wave must be 'associated'”-

De Broglie
1929 Noble

Reference: http://ed.ted.com/lessons/particles-and-waves-the-central-mystery-of-
quantum-mechanics-chad-orzel
 only certain
frequencies
can work in a
circle with
a particular
radius

 = h/mu

Wave-like Particle-like
Properties Properties

u = velocity of e-
m = mass of e-
 Why is e- energy quantized?

De Broglie (1924) reasoned

that e- is both particle and
wave.
2pr = n  = h/mu
u = velocity of e-, m = mass of e-
 is the wavelength of the standing wave
ℎ
𝑛 = 2𝜋𝑟
𝑝
ℎ
Or 𝑛 = 𝑟𝑝 = 𝑚𝑣𝑟 = 𝑎𝑛𝑔𝑢𝑙𝑎𝑟 𝑚𝑜𝑚𝑒𝑛𝑡𝑢𝑚
2𝜋
Thus de Broglie waves can be used to explain
the Bohr model 24
 Standing wave

A standing wave (black) depicted as the sum of two propagating waves traveling in opposite
directions (red and blue).

Standing waves in a string A standing wave on a circular membrane

25
These different atomic orbitals are different Standing waves 26
 Example - Calculate the wavelength of an electron
traveling at 2.65 x 106 m/s
Given: v = 2.65 x 106 m/s, m = 9.11 x 10-31 kg (back leaf)
Find: , m
Concept Plan: m, v  (m) h

mv
Relationships: =h/mv
Solve:
 34 kg  m
2

 6.626  10 
 
2
h s
 
mv
 

9.1110 kg  2.65 10 
-31

6 m
s 

 2.74 1010 m
Tro, Chemistry: A Molecular Approach 27
 Uncertainty Principle
Problem of defining nature of electrons
in atoms solved by W. Heisenberg.
Cannot simultaneously define the
position and momentum (= m•v) of
an electron.
Dx. Dp = h/4π

W. Heisenberg At best we can describe the position

1901-1976 and velocity of an electron by a
PROBABILITY DISTRIBUTION

10/9/2014 28
The importance of the interference of electrons and its
implications

Davisson and Germer

 An equation for matter waves?
De Broglie postulated that every particles has an associated
wave of wavelength:
Wave nature of matter confirmed by electron diffraction
studies (Davisson-Germer experiment) .

Schrodinger applied idea of e- behaving as a wave to the

problem of electrons in atoms.

If matter has wave-like properties then there must be a

mathematical function that is the solution to a differential
E. Schrodinger equation that describes electrons, atoms and molecules.
1887-1961 The differential equation is called the Schrödinger equation
and its solution is called the wavefunction, .

What is the form of the Schrödinger equation ?

30
 The time-dependent Schrödinger equation
p2
For a particle in a potential V (x,t) then E  V ( x, t )
2m

ˆ 
H  i
t  (x,0)  ( x, t ) If you know  (x,0)
Then you can
 2  2  calculate  ( x, t )
  V ( x, t )   i
2m x 2 t

Time-independent Schrödinger equation

ˆ  2
 2

H  E or   V ( x)  E
2m x 2

(KE + PE)  Wavefunction = (Total energy)  Wavefunction

Points of note:
1. The Time Dependent Schrodinger Equation (TDSE) is one of the postulates of quantum mechanics.
Though the SE cannot be derived, it has been shown to be consistent with all experiments.
31
2. Schrödinger equation (SE) involves the complex number i and so its solutions are essentially complex.
The Hamiltonian operator

Ĥ The Hamiltonian

The total energy of the system

The classical expression where the momentum p is

replaced by a derivative expression

Momentum operator pˆ x  i
x
32

Hamiltonian is an operator
The Hamiltonian operator

where Ĥ is called the Hamiltonian operator which is the

differential operator that represents the total energy of the particle.

  2
 2
 ˆ
p 2
Thus Hˆ     V ( x ) 
  x
 Vˆ ( x)
 2m x
2
 2m


where the momentum operator is pˆ x  i
x
 Eigenvalue equations

The Schrödinger Equation is the form of an Eigenvalue Equation: Hˆ   E

2 2
 d
where Ĥ is the Hamiltonian operator, Hˆ  Tˆ  Vˆ   2
 V ( x)
2m dx
 is the wavefunction and is an eigenfunction of Ĥ;

E is the total energy (T + V) and an eigenvalue of Ĥ. E is just a constant!

Eigenvalues of an operator give the possible results that can be obtained when the
corresponding physical quantity is measured.
 Interpretation of 
 Wave function associated with system (depends on all the co-ordinates and time)
can be a complex function, A mathematical function that contains all the
dynamical information about the state of a system

 Does not have physical interpretation, cannot be a physical wave (e.g. electromagnetic wave)

Therefore how can  relate to real physical measurements on a system?

The Born Interpretation
Probability of finding a particle in a small length dx at position x and time t is equal to
2
 ( x, t )( x, t )dx  ( x, t ) dx  P( x, t )dx
*

* is real as required for a probability distribution and is the probability per unit
length (or volume in 3d).
The Born interpretation therefore calls  the probability amplitude, * (= P(x,t) )
the probability density and * dx the probability.
 Max Born’s Interpretation
Wave function of a free electron
moving in one dimension   Ae ikx
+x

  Ae ikx *
 Ae   A e Ae   A
* ikx
2 ikx ikx 2
Probability density

𝑃𝑟𝑜𝑏𝑎𝑏𝑖𝑙𝑖𝑡𝑦

2
𝑃𝑟𝑜𝑏𝑎𝑏𝑖𝑙𝑖𝑡𝑦 𝑑𝑒𝑛𝑠𝑖𝑡𝑦 = =
volume
 Free electron molecular orbital model

Carrots are orange

Tomatoes are red

But Why??
So, does the solution to the quantum mechanical “particle in a
box” serve any role other than to torture P. Chem. students???

Yes!!!
To a good approximation, the π electrons in conjugated polyalkenes are
free to move within the confines of the π orbital system.
 Particle in a one dimensional box
An electron moving along x-axis in a field V(x)

V=0

x =0 x =a
d2  /dx2 + 8p2 m/h2 (E-V)  = 0 a
Assume V=0 between x=0 & x=a
Also  = 0 at x = 0 & a V=0

d2/dx2 + [8p2mE/h2]  = 0 x =0 x =a
d2/dx2 + k2 = 0 where k2 = 8p2mE/h2
Solution is:  = A cos kx + B sin kx
• Applying Boundary conditions:
•  = 0 at x = 0  A = 0
  = B sin kx
•  = B sin kx a
• Applying Boundary Condition:
•  = 0 at x = a,  B sin ka = 0 V=0
• sin ka = 0 or ka = np,
x =0 x =a
• k = np/a
• n = 0, 1, 2, 3, 4 . . .
• n = B sin (np/a)x
• k2 = 8p2m/h2[E] or E = k2h2/ 8p2m
• E = n2 h2/ 8ma2 k2= n2 p2/a2
• n = 0 not acceptable: n = 0 at all x
• Lowest kinetic Energy = E0 = h2/8ma2
 An Electron in One Dimensional Box
a
V= V= • n = B sin (np/a)x
• En = n2 h2/ 8ma2
• n = 1, 2, 3, . . .
• E = h2/8ma2 , n=1
• E = 4h2/8ma2 , n=2
• E = 9h2/8ma2 , n=3

x=0 x=a Energy is quantized

 Numerical problem

Determining the value of an observable

What is the linear momentum of a free particle described by the wave function
Ψ 𝑥 = 𝐴𝑒 𝑖𝑘𝑥 + 𝐵𝑒 −𝑖𝑘𝑥 with (a) B = 0 , (b) A = 0 ?

What is the kinetic energy of the particle with mass of 10-32 kg and described by the above wave
function?

Answer:
ℎ 𝑑
Hints: Operator for momentum 𝑝Ƹ = −𝑖 2𝜋 𝑑𝑥
 Numerical problem

What is the wave length (nm) of light you expect to be

absorbed by Ethylene molecule?

Note:
Application of free electron molecular orbital model to Ethylene
Application to 1,3,5 Hexatriene
Conjugated π Systems and the Color of Substances
 Application
Of
Schrodinger equation
to Understand the hydrogen atom
 Hydrogen-Like Atom

an electron
r

the nucleus is
at the origin

electron is “confined” to the atom by a

“spherically symmetric” potential
 Spherical Polar Coordinates
• It’s easier to study this “planetary like” models in terms
of spherically polar coords. (r, q, f) than Cartesian
coords. (x, y, z)
z
q can vary form 0 to p
f can vary form 0 to 2 p
q r r can vary from 0 to ∞

y
Cartesians to polar f polar to Cartesians
x
x = r sin(q cos(f
y = r sin(q sin(f
z = r cos(q
 Hydrogen Atom
• The Schrodinger equation for the Hydrogen atom:

Laplacian operator in polar co-ordinates

 Hydrogen Atom
• The Schrodinger equation for the Hydrogen atom:

Laplacian operator in polar co-ordinates

• Luckily we can break up Ψ into two components:

= ×
Radial Ψ Angular Ψ

Note:
The Radial wave function R(r) gives the energy and size of the orbitals where as the angular
wave function gives the shape and orientation of the orbitals
 Description of solution
We will not go through the mathematics of the solution, but note that
The radial solutions R(r) contains two parts: one is exponential function namely
𝑒 −𝑟/𝑛𝑎0 where a0 is the Bohr radius, multiplied by a polynomial in r.
R(r) solutions contains two quantum numbers n and l.
n=1,2,3….; l=0,1,2…..(n-1) conditions imposed on the
solution

 Angular part describes, how the wave function is described as a function of the
two angles.

The angular solutions Q(q) are polynomials containing powers of sinq and cosq.

The azimuthal solutions F(f) have to be periodic (have the same value at F(f) and
F(f+2p, etc. They turn out to depend on eimlf, where ml is an integer, either
positive, negative or zero.
 Hydrogen Energies
• Summary
• Energies:

Rydberg constant RH in J

• Energies only depend on principle quantum

number n

• Orbital energy degeneracies:

• For every n, there are n-1 values of l
• For every value of l the are 2l+1 values of ml
Particles are out, waves are in. But the mathematics
of waves is very complex!
 1s Wave Functions for Hydrogen
• The simplest wave function for hydrogen is the one that describes
the 1s state and is designated ψ1s(r) ψ (r )  1 e r ao
1s
πao3
• As ψ1s(r) approaches zero, r approaches  and is normalized as
presented
• ψ1s(r) is also spherically symmetric
– This symmetry exists for all s states

3
1  1  2 r  r 2ao
ψ2s (r )     2  e
4 2π  ao   ao 
 Probability Density
• States of the hydrogen atom with l = 0 (zero orbital angular momentum) have
spherically symmetric wave functions that depend on r but not on q or f. These are
called s states.
• 2  1  2r ao
The probability density for the 1s state is ψ  1s  3e
 πao 

• The radial probability density function P(r) is the probability per unit radial length of
finding the electron in a spherical shell of radius r and thickness dr
Radial Probability Density
 Radial Probability Density

• A spherical shell of radius r

and thickness dr has a
volume of 4πr2 dr
• The radial probability
function is
P(r) = 4πr2 |ψ|2
 Radial Probability Density for 1s State of Hydrogen
• The radial probability density
function for the hydrogen atom in
its ground state is
 4r 2  2r ao
P1s (r )   3  e
 ao 
• The peak indicates the most
probable location
• The peak occurs at the Bohr radius
 Wavefunctions and orbitals

Obital: defined by the quantum numbers n, l and ml

Orbital is a wavefunction
Orbital is a region of space occupied by an electron
Orbitals has energies, shapes and orientation in space
Probability distribution (angular) of electrons around the nucleus

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Ref: http://winter.group.shef.ac.uk/orbitron/AOs/4d/e-density-dots.html
 l = 2 (d orbitals)

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Extending the Theory for many electron
How do we extend the quantum theory to systems
beyond the hydrogen atom?
For systems of 2 electrons, we simply have a  that
depends on time and the coordinates of each of
the two electrons:
(x1,y1,z1,x2,y2,z2,t)
and the Schrodinger’s equation has two kinetic
energies instead of one.
 Extending the Theory
There are two ways of making the wavefunction
reflect the indistinguishability of the two
electrons: (symmetric)
sym = [1 + 2 ] Boson
and (antisymmetric)
anti = [1 - 2 ] Fermion

[We don’t have to worry about  being negative, since

the probability (which must be positive) depends on
2 .]
 FERMIONS (electron)
anti = [1 - 2 ]
Those particles that work with the anti-symmetric
wave function are called FERMIONS. All of these
particles have half-integer spin. Note that if
fermion #1 and fermion #2 both have the same
state, (a=b), then  = 0. This means that both
particles can NOT be in the same state at the
same location at the same time.
 Pauli Exclusion Principle
FERMIONS. Electrons, protons and neutrons
are fermions. These particles can NOT be
in the same location with the same energy
state at the same time.
This means that two electrons going around
the same nucleus can NOT both be in the
exact same state at the same time! This is
known as the Pauli Exclusion Principle!
 Spin Quantum Number, ms
• This leads to a fourth
quantum number, the spin
quantum number ms.
• The spin quantum number
has only 2 values +1/2 and
-1/2
• Describes magnetic field
vector of electron
 Why do we call it “spin”

Because electrons
behave like little
magnets

Note: apparently
only two values for
the magnetic field
 Why do we call it “spin”
• And charges that spin
produce magnetic
fields
 Pauli Exclusion Principle
• No two electrons in the
same atom can have
exactly the same energy.
• For example, no two
electrons in the same atom
can have identical sets of
quantum numbers.
 Paramagnetic Diamagnetic

unpaired electrons all electrons paired

2p 2p
O, S Ne, Ar
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