Quantum Theory and the

Electronic Structure of Atoms (check this) https://quantumtocosmos.ca/#/scale?value=0.4

Dr. Nurul Asikin Mijan

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Questions? Classical to Quantum Theory

• Quantum theory enables us to predict and • Early attempts by nineteenth -century
understand the role electrons play in physicists to understand atoms and
chemistry. molecules were not successful because
• In studying atoms we must ask; properties of atoms and molecules are not
– How many electrons are present in a particular governed by physical laws as larger objects.
atom? (electron configuration from H till Cu!) • New era in physic begun when Max Planck,
– What energies do individual electrons possess? 1900, German, proposed that atoms and
– Where in the atom can electrons be found? molecules emit energy in discrete quantities
known as quanta.
 Classical to Quantum Theory Properties of Wave
• To understand Planck’s quantum theory we
• Planck’s quantum theory need to understand the nature of waves.
turned physics upside down
• A wave may be thought of as a vibrating
and altered our concept of
disturbance by which energy is transmitted.
nature forever.
• Energy travel in waves
• Planck earned the Nobel
Prize in Physics in 1918 for
his quantum theory.

Yang Farina
Tanah Lot in Bali

Properties of Waves
Characteristics of wave
• Waves are characterized by:
– Wavelength,  (lambda)
– Frequency,  (nu)
– Amplitude.
• The speed (u) of wave is dependent on the
nature of medium it travels through.
Wavelength () is the distance between identical points on
• u= successive waves.

Amplitude is the vertical distance from the midline of a

wave to the peak or trough.
7.1
 Properties of Waves
Electromagnetic Radiation
✓ A wave may be thought of as a vibrating
disturbance by which energy is
transmitted.
✓ Energy travel in waves

Frequency () is the number of waves that pass through a

particular point in 1 second (Hz = 1 cycle/s).

The speed (u) of the wave =  x 

7.1

Maxwell (1873), proposed that visible light consists of

electromagnetic waves.
Electromagnetic Radiation
• Many types of waves: water, sound & light. Electromagnetic
radiation is the emission
• 1873, Clerk Maxwell proposed that visible and transmission of energy
in the form of
light consists of electromagnetic waves. electromagnetic waves.
• Electromagnetic wave has two components
• Electric field.
• Magnetic field.
• Both have the same wavelength and
Speed of light (c) in vacuum = 3.00 x 108 m/s (meter/seconds)
frequency but travel in mutually
perpendicular planes. All electromagnetic radiation
x=c
7.1
 Types of Electromagnetic
Electromagnetic Radiation
Radiation
• Energy in the form of radiation can be
• Speed, 3.0 x 108 ms-1. Differ from medium
propagated through space as vibrating
to another but only slightly.
electric and magnetic fields.
• There are various types of electromagnetic
• Electromagnetic radiation is the emission
radiation:
and transmission of energy in the form of • radiowaves, low frequency, long wavelength.
electromagnetic waves. • -rays, high frequency, short wavelength.

The different wavelength of

electromagnetic radiation

c = Speed, 3.0 x 108 ms-1. Differ from medium to another but c = Speed, 3.0 x 108 ms-1. Differ from medium to another but
only slightly. only slightly. 7.1
 A photon has a frequency of 6.0 x 104 Hz. Convert
PROBLEM 1: A photon has a frequency of 6.0 x 104 Hz. Convert this frequency into wavelength (nm). Does this frequency
this frequency into wavelength (nm). Does this frequency fall in the visible region?
fall in the visible region?
Speed of light (c) in vacuum = 3.00 x 108 m/s 
x=c
 = c/ 
 = 3.00 x 10 m/s / 6.0 x 10 Hz
8 4

 = 5.0 x 103 m
 = 5.0 x 1012 nm

Radio wave

7.1 7.1

PROBLEM 2: What is the frequency of green light of wavelength PROBLEM 3: A dental hygienist uses x-rays (λ= 1.00Å) to take
5200 Å? a series of dental radiographs while the patient listens to a radio
Speed of light (c) in vacuum = 3.00 x 108 m/s station (λ = 325 cm) and looks out the window at the blue sky
(λ= 473 nm). What is the frequency (in s-1) of the
𝑐
c = λv ∴ v = electromagnetic radiation from each source? (Assume that
λ
the radiation travels at the speed of light, 3.00x108 m/s.)
PLAN: Use the equation c = λv to convert wavelength to frequency. PLAN: Use the equation c = λv to convert wavelength to frequency.
Wavelengths need to be in meters because c has units of m/s. Wavelengths need to be in meters because c has units of m/s.
 Planck's Quantum Theory
• Radiation energy emitted by an object at a
certain temperature depends on .
• Attempts to explain this dependence using
classical theory were only partially
successful.
• Planck's theory departed from classical
physics (atoms and molecules emit or absorb
arbitrary amount of radiation energy).
*Arbitrary (randomly)
Quantum
• Atoms and molecules absorb or emit discrete
amount of energy.
• Planck gave the name quantum to the
smallest quantity of energy that can be
emitted (or absorbed) in the form of
electromagnetic radiation.
• E= h
– Energy is always emitted in multiples of h, 2h,
3h…..
– Experimental data for black body radiation agrees
with hypothesis, supporting quantum theory

What is black body?

• Certain object called blackbodies because they emit
electromagnetic radiation of all wavelength.
• Example: Sun and hot piece metal
When solids are heated, they emit
radiation, as seen in the red glow
of an electric stove burner or the
bright white light of a tungsten
lightbulb.

Where did everyone go????

• Planck proposed that vibrational energy of atom are
quantized.

• Meaning ?, atoms and molecules absorb or emit

discrete amount of energy.

Plank’s expression for blackbody

radiation
• Planck gave the name quantum to the smallest
quantity of energy that can be emitted (or absorbed) in
the form of electromagnetic radiation.
• Max Planck assumes the energies of the oscillations of
electrons which gave rise to the radiation must be
proportional to integral multiples of the frequency,
• i.e., E = nhν
n: Integer 1,2,3.. etc, h = 6.63 x 10-34 J•s (Planck’s constant)
– Energy is always emitted in multiples of h, 2h,
3h…..
– Experimental data for black body radiation agrees
with hypothesis, supporting quantum theory
• Planck won the Nobel Prize in Physics in 1918
The recognition that energy changes in discrete quanta at the
atomic level marked the beginning of quantum mechanics.

PROBLEM 3.
When copper is bombarded with high-energy electrons,
X rays are emitted. Calculate the energy (in joules)
associated with the photons if the wavelength of the X
rays is 0.154 nm.

E=hx
E=hxc/
E = 6.63 x 10-34 (J•s) x 3.00 x 10 8 (m/s) / 0.154 x 10-9 (m)
E = 1.29 x 10 -15 J

7.2
 The Photoelectric Effect
• In 1905, five years after Planck's quantum theory, Einstein used this Einstein said: A photon is a tiny particle made up of EM waves.
theory to solve another mystery in physics, the photoelectric effect.
• Photoelectric: the emission of electrons when electromagnetic (EM) ✓ The photon’s energy is partly used
radiation, such as light, hits a material to break the electron away from
• Electrons are ejected from the surface of metals exposed to light of a the material.
certain minimum frequency, known as threshold frequency ✓ Once photon falls on a material,
electrons are ejected without delay.
• Electron ejected by maximum wavelength and any light with a longer
✓ If the energy of an individual
wavelength would have no effect, even if you increased its intensity. photon is too low to break an
electron away, no electrons will be
ejected.
✓ The number of electrons ejected per
unit time is proportional to the
intensity of the EM radiation
(increased number of photons per
unit area)

Photons The photon’s energy is partly used to break the electron away from
the material. The remainder goes into the ejected electron’s kinetic
• Einstein used Planck's equation where one could define a
energy. In
"particle of light" or photon as having a fundamental
energy of hν.
• A photon is a tiny particle made up of electromagnetic ❖ where KEe
waves. is the maximum kinetic
energy of the ejected
electron, hf is the
A minimum energy of photon’s energy, and
2.0 eV is required to BE is the binding
eject a photon off of K,
and so red light would energy of the electron
not work, while green to the particular
and purple would.
material. This

Wave-Particle Duality
• Energy of each photon, E= h
• Particle theory not consistent with
wave behaviour of light.
• Accept idea light possesses both
particle-like and wavelike properties,
wave-particle duality.
Einstein claim this ya…!! remember
Indeed, each element exhibited unique spectra
Bohr’s Theory of the Hydrogen
Atom
• Einstein’s work paved the way for the solution of
another “mystery” in physics: emission spectra of
atoms.
• Neils bohr dealing with structure of the atom
• If the electron (-ve) and proton (+ve), why atom stable?,
why don’t just electron collide with nucleus (なんで,
何で?)
• Chemists studied the emission spectra, continuous or
line spectra of radiation emitted by substances. (Bohr
questionise the spectra belong to who?? And why it
been observed?)WHY??
✓ What make them emit light with different colors?
✓ Bohr answer this questions his model of H atoms
and Bohr extended the idea of energy
quantization

Line Emission Spectrum of Hydrogen Atoms

Bohr offered theoretical explanation of the emission

spectrum of the H atom.

Bohr’s model of the H atom

➢Electron moved in certain orbits.
➢Energy of the electron is quantized.
E = nhν
n: Integer 1,2,3.. etc, h = 6.63 x 10-34 J•s (Planck’s constant)
➢Emission of radiation when electron drops from a
higher energy orbit to a lower one, giving up a quantum
of energy (a photon) in the form of light (lines in the
emission spectrum.
 Bohr’s model of the H atom Energy of Electron in H atom
• For H atom, energy level depend on the
✓ Each of atom has energy Rydberg constant RH, Rydberg constant for
level at different value
due to it unique number
hydrogen, 2.18 x 10-18
of protons in nucleus • Are given by the following equation:
-RH
✓ Photon absorbed or • Eelectron = En = -RH(1/n2) ∴
n2
emitted by electron, the
• n, principal quantum number, 1, 2, 3….
energy of photon
correspond to the • Negative sign is an arbitrary convention,
different two energy level energy of electron in atom is lower than a
free electron. At , E=0

E = h
Energy of Electron in H atom
✓Measurement of the change in energy of
electron during transition can be done by
modification the equation.
✓Include the change in energy level
E = h
1 1
ΔEn = -RH( 2 - )
𝑛𝑓 𝑛𝑖2

n final: e end

n initial: e begin
7.3
 PROBLEM 4

PROBLEM 5
Calculate the wavelength (in nm) of a photon Ground State
emitted by a hydrogen atom when its electron
drops from the n = 5 state to the n = 3 state. • Most stable, lowest energy when n=1,
1 1
Ephoton = DE = RH( 2 ) ground state or ground level.
ni n2f
Ephoton = 2.18 x 10-18 J x (1/25 - 1/9) • When an electron is excited to higher
energy levels, n= 2, 3…excited state or
Ephoton = DE = -1.55 x 10-19 J
excited level.
Ephoton = h x c / 
• The emission spectrum of hydrogen, a wide
 = h x c / Ephoton range of wavelengths from infrared to
 = 6.63 x 10-34 (J•s) x 3.00 x 108 (m/s)/1.55 x 10-19J ultraviolet.
 = 1280 nm
7.3
 Ephoton = DE = Ef - Ei
ni = 3 ni = 3
1
Ef = -RH ( )
n2f
ni = 2
1
nf = 2 Ei = -RH ( 2 )
ni
1 1
DE = RH( 2 )
ni n2f

nnf f==11

7.3

Failure of Bohr’s Theory

• Clinton Davisson, Lester Gerner and G.P.
Thompson (son of J.J. Thompson) successfully
performed an experiment that clearly showed
the diffraction patterns of a thin gold foil
when a beam of electrons was directed at it.
• Diffraction is a property associated with wave.
Diffraction: Interference or bending of waves around the corners
of an obstacle A good application of electron’s dual behaviour
is the electron microscope
e = 0.004 nm
STM image of iron atoms
on copper surface

✓ Electron beam showed

the diffraction patterns
✓ Diffraction is a property
associated with wave.

Particle-Wave Duality
Louis de Broglie support
Einstein
✓ The notion that matter on the
atomic scale might have the
Moreover, Why is the electron properties of a wave was rooted in
in a Bohr atom restricted to a proposal Einstein had made 20
orbiting the nucleus at certain years before.
fixed distances? No one had a ✓ 1924, Louis de Broglie, particles
logical explanation. such electrons can possess
wave properties.

Idea gain scientific acceptance when de Broglie

extended the idea of such a duality to matter.
 Bohr to de Broglie Nodes
• Some points, nodes, the amplitude of the wave at
these points are zero.
• If frequency high, wavelength shorter, greater
number of nodes.

✓ Louis de Broglie, particles such electrons can possess

wave properties.
✓ Electron bound to the nucleus behaves like a standing
wave (stationary, do not travel).

Nodes De Broglie’s Equation

•If e behaves like a standing wave in the hydrogen atom,
length of wave must fit circumference of the orbit. • Waves can behave like particles (photoelectric
•2r = n effect) and particles such as electrons can
– = wavelength exhibit wavelike properties.
–n = 1, 2, 3…. h
•As n is an integer, r may have only certain values. =
mu

–  = wavelength of particle
– m = mass of particle
– u = velocity of particle
– h = Planck’s constant
 What is the de Broglie wavelength (in nm)
associated with a 2.5 g Ping-Pong ball Quantum Mechanics
traveling at 15.6 m/s?
• Bohr’s theory to describe the structure of the
atom was successful only for 1-electron
 = h/mu h in J•s m in kg u in (m/s) systems, H, He+, Li2+.
 = 6.63 x 10-34 / (2.5 x 10-3 x 15.6) • Bohr’s theory could not explain the appearance
 = 1.7 x 10-32 m = 1.7 x 10-23 nm of additional lines in the H emission spectrum
upon application of a magnetic field.
• Bohr’s theory treated electron as particles.
However, the diffraction of e clearly indicated
wavelike properties.
7.4

Position of Wave? Heisenberg Uncertainty Principle

• Electron’s dual behaviour, wavelike and
particle-like posed another question, “How
• Heisenberg Uncertainty Principle:
may the position of wave be specified”.
“it is impossible to know
• Location of a subatomic particle (such as e) simultaneously both the
that behaves (moves) like a wave was momentum p (m x u) and the
formulated by Werner Heisenberg. position of a particle with
certainty”.
 Heisenberg uncertainty principle: “the exact location of an
electron and the path it takes is impossible to determine” Expressed mathematically, the
Heisenberg uncertainty principle is:
• Mathematically, h
DxDp 
– Dx =Uncertainty in position 4
– Dp = Uncertainty in
momentum (velocity, p = m x
✓ Photon of light to interreact with the electron and bounce back, u, m is constant).
revealing the location. h = 6.63 x 10-34 J•s (Planck’s constant)
✓ However, when the light interacts with the electron, energy If we know the momentum with more certainty (smaller Dp), then the
would be transferred to the electron. location is less known (larger Δx). The reverse is also true.
✓ This energy transfer would cause the electron to move faster.
✓ While trying to determine the location of the electron, we are This equation reveals that we cannot know both
changing the position. Therefore it is not possible to determine
an electrons exact location.
the location and momentum of an electron.

What does uncertainty tell us?

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 (Dx)?
PLAN: The uncertainty in the speed (Du) is given as ±1% (0.01) of
6x106 m/s. We multiply u by 0.01 and substitute this value into
Equation 7.6 to solve for Δx.
 Heisenberg’s Uncertainty Principle introduces
Orbital the concept of orbital.
• Exact position of e cannot be determined. Can
only determine the area where probability of
finding an electron is high.
• Electron does not orbit the nucleus in a well
defined path as proposed by Bohr.
• Heisenberg’s Uncertainty Principle
introduces the concept of orbital.

Schrödinger Wave Equation Schrödinger Wave Equation

• 1926, Edwin Schrödinger, Austrian, proposed
8 2
m
a wave equation to describe the wave nature of  2 + 2 ( E − V ) = 0
a particle. h
• Analogous to Newton’s laws of motion for
macroscopic objects. •  = wave function (wavelike property)
• m = mass (particle-like property)
• E = Total energy
• V = Potential energy
• h = Planck’s constant
 What is 
• , no direct physical meaning.
• Probability of finding the electron in a certain
region in space is proportional to 2.
• Stem from wave theory analogy, intensity of
light proportional to the square of the
amplitude, 2.
Quantum Mechanics
• Schrödinger’s equation launched a new era in
Chemistry, known as quantum mechanics
(wave mechanics).
• Developments of quantum theory, 1913-1926,
is referred to as “old quantum theory”.