 Bohr Model (1913)

 Bohr – circular orbits of electrons around central nucleus of

protons; quantization of orbital angular momentum;
principal quantum number, n

mvr=nh/2π

Units of h/ 2π

1
 Standing waves
In physics, a standing wave – also known as a
stationary wave – is a wave that remains in a
constant position.

2
Wave motion in restricted systems.

3
Very important result…….. 4
Why electrons can be placed in definite orbits
around the nucleus?

n λ = 2π r
It means that the
electron can take
only definite orbits
and not any
random orbit

We can see different standing waves around the

nucleus
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Niels Bohr had postulated in his quantum theory
that the angular momentum of an electron in orbit
around the nucleus of the atom is equal to an
integer multiplied with h / 2π, or:
n h / 2π = m v r (1)
We get the equation now for standing
waves:
n λ = 2π r (2)
Combining these two
from (1) r = nh/2πmv Put this in (2)
n λ = 2π x nh/2πmv
n λ = nh/mv

Or λ = h/mv
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 For an electron in an atom

nuclear charge

charge of the electron

When two opposite charges

attract, the force of
attraction F is given as

Permitivity of free space

7
8
 1

52.9 pm

This the radius of the H atom, or the electron is 52.9 pm away from the nucleus
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1

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You will see here that as the value of ‘n’ increases radius
of the orbit ( note: it is orbit and not orbital) increases

As the value of ‘n’ increases, E, the energy increases ( it

becomes less negative as ‘n’ is in the denominator

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 14

Very important derivation……..

Consider an electron moving at about 1% of the speed of light,
say 1.0 x 106 m/sec.

Since the wavelength of the electron is comparable to atomic

dimensions, the effects of its wave nature are very important when
considered on that scale.

You should do many problems using the equation λ = h/mv

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What about a car, 1000 kg, travelling at 100
km/hr?

The wave character of the car is so immensely

smaller than the car itself, that there is no
experiments we can perform that can probe its
wave character. Hence, we never observe
cars diffracting off each other in a collision -
they just smash up.
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 Heisenberg’s Uncertainty Principle

Heisenberg’s Uncertainty Principle states that it is not

possible to know both the position and momentum of a
moving particle accurately at the same time.

 x∙p ≥ h
4 x = position
u = speed
h p = momentum
 x∙m u ≥
4

The more accurately we know the speed, the less

accurately we know the position, and vice versa.

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 Applying the Uncertainty Principle

PROBLEM: An electron moving near an atomic nucleus has a speed

6x106 m/s ± 1%. What is the uncertainty in its position (x)?

PLAN: The uncertainty in the speed (u) is given as ±1% (0.01) of

6x106 m/s. We multiply u by 0.01 and substitute this value
into Equation 1 to solve for Δx.

SOLUTION: u = (0.01)(6x106 m/s) = 6x104 m/s

h
x∙mu ≥ (1)
4
h 6.626x10-34 kg∙m2/s
x ≥ ≥ ≥ 1x10-9 m
4mu
4 (9.11x10-31 kg)(6x104 m/s)

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 The Quantum-Mechanical Model of the Atom
The matter-wave of the electron occupies the space near the
nucleus and is continuously influenced by it.
The Schrödinger wave equation allows us to solve for the energy
states associated with a particular atomic orbital.
The square of the wave function gives the probability density, a
measure of the probability of finding an electron of a particular
energy in a particular region of the atom.

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22
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24
25
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27
Is taken out

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Ψ is a function represented as

29
 h

2
Substituting for KE (2) in 1

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 Partial
differentiation in
3D

H, the
Hamiltonian
can
be given as

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 HΨ =EΨ
Here Ψ is called the wave function
It is a function of the coordinates, x,y,z of the
electrons position in three dimensional space
H represents a set of mathematical instructions
called an ‘operator’

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In this case H, the Hamiltonian operator acts on
function Ψ to give back Ψ multiplied by a
constant called E which represents the total
energy of the atom PE + KE

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Transformation from Cartesian coordinates to polar
coordinates

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35
Schroëdinger Equation
Hψ = Eψ
 Interpretation of ψ, ψ2, and ∫ψ2 dV

 ψ – wave function/equation, atomic orbital

 ψ2 – a measure of the intensity of electron density

distribution

 ∫ψ2dV – probability of finding the electron within a

certain volume element, dV dV

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 Boundary Conditions on ψ
 ψ must be finite.
 [The wave function must be finite everywhere]
 ψ must be single valued.
 [Since ∫ψψ * dτ is the probability density, it must be single valued]
 ψ must be continuous.
 [This makes the wave function “smooth”]

 ∫ (over all space)ψ2 dV = 1 (normalization)

 Total probability of finding the electron is 1

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ψ = R(r) Θ(θ) Φ(φ)
n l m
 n – principle Q.N., defines orbital size
 = 1, 2, 3, …
 l – azimuthal Q.N., defines orbital shape
 = 0, 1, 2, 3…(n-1)
 m – magnetic Q.N., defines orbital orientation
 = -l … 0 …+l

 s – spin Q.N., defines direction of e− spin

 = +1/2 or -1/2
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 Principle Quantum Number, n

 Recall: ψ2 gives probability of finding an electron in a

given location

Where 90% of the

e- density is found
for the 1s orbital

 “n” determines the size of this 90% boundary

 Bohr theory
says electron is found in the first orbit

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Angular Momentum Quantum
Number, l
Ψ = f(n, l, ml, ms)

angular momentum quantum number

• Corresponds to orbital shape

• For a given value of n, l = 0, 1, 2, 3 … n-1

l=0 s orbital
n = 1, l = 0
l=1 p orbital
n = 2, l = 0 or 1
l=2 d orbital
n = 3, l = 0, 1, or 2
l=3 f orbital
40
Angular Momentum Quantum
Number, l
l = 0 (s orbitals)

l = 1 (p orbitals)

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 What is the difference between 2p and 3p?
2p: n=2, l=1 3p: n=3, l=1

All same size, Px, py, pz have

shape, energy same energy.
So they are
called as
All same size, “degenerate
shape, energy orbitals”

Not
degenerated…..
Which has a higher energy 2p or 3p?
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Angular Momentum Quantum
Number, l
l = 2 (d orbitals)

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Magnetic Quantum Number, ml
Ψ = f(n, l, ml, ms)

magnetic quantum number [Also given as ‘m’]

• Defines the orientation of the orbital in space

• For a given value of l, ml = –l, … , 0, … +l

if l = 1 (p orbital), ml = -1, 0, or 1
if l = 2 (d orbital), ml = -2, -1, 0, 1, or 2

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Magnetic Quantum Number, ml

ml = -1 ml = 0 ml = 1

ml = -2 ml = -1 ml = 0 ml = 1 ml = 2
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 Practice Problem
Which of the following combinations of
quantum numbers does not describe an
allowed orbital?

46
 Practice Problem
Which of the following combinations of
quantum numbers does not describe an
allowed orbital?

n = 1, l = 1 m = 0 is not possible because l = n – 1, n-2

etc. 47