Introduction of Quantum theory and the

electronic structure of atoms

By:

Arsel Arianto Pau Riwu

Open Course
 1. From Classical Physics to Quantum Theory
Motion of atoms and subatomic particles.
 1. From Classical Physics to Quantum Theory

Max Planck (1900), While analyzing the data on radiation emitted

by solids heated to various temperatures discovered that atoms
and molecules emit energy only in certain discrete quantities, or
quanta.
1873 James Clerk Maxwell

Maxwell model accurately describes how energy in the form of radiation can be
propagated through space as vibrating electric and magnetic fields.
1. From Classical Physics to Quantum Theory
1. From Classical Physics to Quantum Theory
Black-body radiation

The radiation is reflected many times within the container and comes to thermal
equilibrium with the walls at a temperature T.
1. From Classical Physics to Quantum Theory
Black-body radiation
Energy density (Jm-3), the total energy in a region of the electromagnetic field
divided by the volume of the region.
Fail Classical physics:
E = KT

Planck quantization
of energy:
nh.c
E = n hν =
λ
Average energy
oscillation:
Successful h.v
E=
exph.v/KT −1
 1. From Classical Physics to Quantum Theory
The Photoelectric Effect: The particle character of electromagnetic radiation
Albert Einstein (1905): electrons are ejected from the surface of certain metals exposed
to light of at least a certain minimum frequency (the threshold frequency).
 1. From Classical Physics to Quantum Theory
The Photoelectric Effect: The particle character of electromagnetic radiation
Problem 01.
The work function of cesium metal is 3.42 x 10-19 J. (a) Calculate the minimum frequency of light
required to release electrons from the metal. (b) Calculate the kinetic energy of the ejected
electron if light of frequency 1.00 x 1015 s-1 is used for irradiating the metal.
 1. From Classical Physics to Quantum Theory
Compton Scattering: The particle character of electromagnetic radiation

𝒉
2πr=λ=
𝒎 .𝒄

𝒉 𝒉 𝒉
𝑷𝒙 = 𝒎 . 𝒄 = 𝑷𝒚 = 𝒎 . 𝒄 = cos 𝚹 𝝀𝒇 − 𝝀𝒊 = 𝟏 − cos 𝚹
𝝀𝒊 𝝀𝒇 𝒎 .𝒄
2. Bohr’s Theory of the Hydrogen Atom
2. Bohr’s Theory of the Hydrogen Atom
Emission Spectra
2. Bohr’s Theory of the Hydrogen Atom
R
Emission Spectrum of the Hydrogen Atom En = − H
n2

Ritz combination
principle

ΔE = Ef − Ei

1 1
ΔE = RH −
ni n2f
2
R H= 𝟐. 𝟏𝟖 𝐱 𝟏𝟎 −𝟏𝟖 J

1 1
vത = RH −
n2i n2f
R H= 109677 cm−1
2. Bohr’s Theory of the Hydrogen Atom
Emission Spectrum of the Hydrogen Atom
 2. Bohr’s Theory of the Hydrogen Atom

The structure of hydrogenic atoms

Coulomb potential energy of an electron in a hydrogenic atom of atomic number Z is:
Z . 𝒆𝟐
𝑽=
𝟒 π ε𝟎 𝒓

ε0 = 8,85 x 10 −12 C2 .s2 Kg−1 m−3

Electrostatic force of an electron

in a hydrogen atom is:
e2
F=
4 π ε0 r2

Centrifugal force of an electron in

a hydrogen atom is:
m .v2
F= r
 2. Bohr’s Theory of the Hydrogen Atom

The structure of hydrogenic atoms

n2 . ε0 . h2
e2 m .v2 n2 . h2 𝒓= (𝟖)
= (𝟏) v2 = (𝟔) 2
e 𝒎π
4 π ε0 r2 r 4 . m2 π2 r2
If n = 1, r is the
h
λ = m . c (2) 𝟐π r = n λ (3) Subtitusi pers. (6) ke pers. (1) Bohr radius,
which has the
n. h e2 n2 . h2 value 52.9 pm
n.h v = m . 2 π r = (5) = (𝟕)
𝟐π r = m . v (4) 4 ε0 4 . 𝒎 π 𝒓

12 . (8,85 x 10 −12 C2 .s2 Kg−1 m−3 ) . (6.63 x 𝟏𝟎−𝟑𝟒 𝑲𝒈. 𝒎 𝟐 . s −𝟏 ) 2

𝒓=
(𝟏. 𝟔𝟎𝟐𝟐 𝒙𝟏𝟎−𝟏𝟗 𝑪)2 (𝟗. 𝟏𝟎 𝒙𝟏𝟎−𝟑𝟏 𝑲𝒈) (3.14)

𝒓 = 5.36 x 10-11 m or 53.6 pm

𝜓2
 3. Brief introduction to quantum mechanics
The Schrödinger equation
The Schrödinger equation is a second-order differential equation used to calculate the
wavefunction of a system.
𝑬 = 𝑲𝑬 + 𝑽 n.h (𝒊) h 𝒅
2πr= 𝑷𝑿 =
m.c 2 π 𝒅𝒙
𝟏
𝑬 = 𝒎. 𝒗𝟐 + 𝑽 n.h
P = m . 𝒄 . r =
𝟐 2π
2 − h2 d2
2 . m . E= m2 . v2 h Px =
P= 4 π2 dx2
𝑷𝟐 = 2 . m . E 2π
The time-independent Schrödinger equation for one-dimensional systems:
− h2 d 2 − h2 d2 h2 d2
=2.m.E 𝜓 = 2 . m . E𝒕𝒐𝒕𝒂𝒍 𝜓 − 𝜓 = (E𝑲 − 𝑽)𝜓
4 π2 dx2 2
4 π dx 2 2
8 m π dx 2
For three-dimensional systems:
h2 d2 d2 d2 h2 𝟐 𝜓 = (E − 𝑽)𝜓
− + 2 + 2 𝜓 = (E𝑲 − 𝑽)𝜓 or − 𝛁
2 2 8 m π2 𝑲
8 m π dx dy dz
 3. Brief introduction to quantum mechanics
The Heisenberg uncertainty principle
h
Δp . Δx ≥
4π ∞
N2 ‫׬‬−∞ 𝝍2 dx = 1
 4. Quantum Numbers
Quantum Numbers are derived from of the Schrödinger solution for the hydrogen
atom to describe the distribution of electrons in hydrogen and other atoms.
1. The Principal Quantum Number (n): Value of n determines the energy of an orbital.
47Ag = [Kr] 4d10 5s1 → n (of the outer electron) = 5 The maximum number of electrons 2n2

2. The Angular Momentum Quantum Number (l): Tells us the “shape” of the orbitals.

47Ag = [Kr] 4d10 5s1

l (of the outer electron) = 0
3. The Magnetic Quantum Number (m): describes the orientation of the orbital in space or
position of electron in subshells of individual orbitals.

47Ag = [Kr] 4d10 5s1

m (of the outer electron) = 0

Each subshell of quantum number l contains (2l + 1)

orbitals.
(Noted: Other Higher-Energy
Orbitals)
 4. Quantum Numbers

4. The Electron Spin Quantum Number (s)

Spinning charge generates a magnetic field, and it is this motion that causes an
electron to behave like a magnet.
Lines in the emission spectra could be split

Otto Stern and Walther Gerlach (1924) experiment

47Ag = [Kr] 4d10 5s1 → s (of the outer electron) = +1/2

4. Quantum Numbers
Approximate energy level diagram for atoms with two or more electrons
4. Quantum Numbers

General Rules for Assigning Electrons to Atomic Orbitals

 4. Quantum Numbers
Problem 02.
1. Atom unsur X yang terdapat
dalam senyawa X2O memiliki
massa 64 sma. Jika jumlah
neutron di dalam nukleus
6
sebanyak 1 jumlah proton,
29
tentukan keempat bilangan
kuantum dari dari elektron
terluar pada atom tersebut
2. Atom unsur X memiliki massa
27 sma. Jika jumlah neutron di
1
dalam nukleus sebanyak 1
13
jumlah proton, tentukan
keempat bilangan kuantum dari
elektron terluar pada atom
tersebut
 5. Electron Configuration

1. Aufbau principle dictates that as protons are

added one by one to the nucleus to build up the
elements, electrons are similarly added to the atomic
orbitals.
2. Pauli exclusion principle states that no two
electrons in an atom can have the same set of four
quantum numbers.
3. Hund’s rule states that the most stable arrangement
of electrons in subshells is the one with the greatest
number of parallel spins.
5. Electron Configuration

2He = 1s2
10Ne = 1s2 2s2 2p6
18Ar = 1s2 2s2 2p6 3s2 3p6
36Kr = 1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p6
54Xe = 1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p6 5s2 4d10 5p6
86Rn = 1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p6 5s2 4d10 5p6 6s2 4f14 6p6
 Danke Gud
Vielen Dank
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