Lecture 1 and 2 - Sept 2019-1

Structure of the atom
Lecture 1
1.0 Structure of the Atom
1 Lecture 1 Objectives or Aims
At the end of this unit you should be able to;

(a) describe the historical development of atomic structure
(b) descried the nature of electrons, protons and neutrons
(c) explain the Thomson model
(d) describe the nature of electromagnetic radiation
(c) explain Rutherford model
(d) discuss the Bohr model and hydrogen spectrum
1.0 Introduction
What is chemistry?-Chemistry is the study of mater and energy and the interaction between them.
This lecture describes the historical development of the classical view of atomic structure. It
starts with earlier view of atoms and how the understanding of atom developed. In this lecture
we will learn different classical views that were put forward in history, their success and failures.
Matter is a substance that has inertia and occupies physical space. According to modern physics,
matter consists of various types of particles, each with mass and size. Matter can exist in
several states, also called phases.
A century ago, scientists believed that atoms were solid indestructible particles like minute
rebounding balls. Since then, they have built up a great deal of evidence concerning the detailed
structure of atoms.
Experiments involving electrolysis suggested that certain compounds contained charged particles
called ions. The formation of these ions from atoms could be explained by the loss or gain of
negatively charged particles (electrons). This led to the idea that atoms consisted of a small
positive charged nucleus surrounded by negative electrons. Later, scientists discovered that the
nucleus is composed of two kinds of particles-protons and neutrons. In this lecture, we shall
consider historical development of theory of atomic structure.
SELF-TEST QUESTIONS
i) Define the words, atom, element and molecule.

ii) Write briefly on Dalton‟s Atomic theory
1.1 Classical View of Atomic Structure
The classical view of atomic structure was constructed with the body of knowledge accumulated
in physics over several centuries preceding the 20th century. This body of knowledge is called
classical physics.
Known facts:
Through experience, physicists have identified a long list of particles which make up the atoms.
The most fundamental particles are:
1 Electrons
2 Protons
3 Neutrons
Electrons
Electrons were discovered by J. J. Thomson in 1897, when conducting experiment on
conductivity of electricity of gases at very low pressure. He initially called them cathode rays.
Explain the basic operation of a Cathode ray tube and it‟s important in understanding the structure
of an atom.
The electron is negatively charged with a charge of -1.602189x10-19 C (Coulombs). For
convenience the charge of atomic and sub-atomic particles are described as multiple of this value
(also known as electronic charge). Thus the charge of electron is usually referred to as (negative)
-1.
The mass of electron me=9.109534x10-31 kg
=5.485x10-4 amu
1 atomic mass unit (amu)=1.660565x10-27 kg
Symbol of electron is e-1.
Protons
Protons were discovered by J. J. Thomson, when later conducting experiment on conductivity of
electricity of gases at very low pressure. He initially called them positive rays
The protons has a charge of +1 electronic charge or +1.602189x10-19 C

The mass of proton mp=1.672648x10-27 kg =1.007276 amu
Symbol p.
Neutrons
Electrons were discovered by Chadwick in 1932. From his experiments he showed that neutrons
had almost the same mass as the protons. Chadwick was able to explain the difficulty concerning
the relative atomic masses of hydrogen and helium and later on the idea of isotopes.
Neutrons have no charge. They are electrically neutral

The mass of neutron mn=1.674954x10-27 kg
=1.008665 amu
Symbol n.
Atomic Mass Unit

The mass of an atom is extremely small. The units of mass used to describe atomic particle is the
atomic mass unit or (amu). An atomic mass unit (amu) is equal =1.660565x10-27 kg or
=1.660565x10-24 g
Hence mass of proton=1.007276 amu
neutron=1.008665 amu
electron=5.485x10-4 amu
 From this comparison, we can see that the mass of proton and neutron are nearly identical.
 The nucleus (protons plus neutrons) contain virtually all the mass of the atom.
 The electrons while equal and opposite in charge to the protons have only 0.005% mass.
SELF-TEST QUESTIONS
The five main proposals in Dalton‟s Atomic Theory of matter were:

1 All matter is composed of tiny indestructible particles called atoms.
2 Atoms cannot be created or destroyed.
3 Atoms of the same elements are alike in every way.
4 Atoms of different elements are different
5 Atoms can combine together in small numbers to form molecules.
a) In the light of modern knowledge about atoms, isotopes, molecules and atomic
structure comment on the truth of each of these proposals
b) Why is Dalton‟s Atomic Theory still useful in spite of these limitations?
c) Describe the contributions of the following scientists to our knowledge of

atomic structure: John Dalton, J. J Thomson, R. A. Mullikan, James Chadwick and
Ernest Rutherford
ACTIVITY
Visit the library the physics section, get a book on Atomic and Nuclear Physics and read on
classification of the elementary particles. You will be excited to learn of many particles , for
example: boson, fermions, leptons, mesons, baryons, photons, hyperons, nucleons, pions,
kaon, muon etc

NB/ You can get most of this information from internet.
1.2 Historical Development of Atomic Theory
The challenge was how these sub-atomic particles are arranged in an atom. Different atomic
models were proposed. The sections that follow describe some of the models that have been
proposed.
1.2.0 Dalton’s Atomic Theory

The Dalton‟s atomic theory states that:-
1. Elements are made of extremely small particles called atoms.

2. Atoms of a given element are identical in size, mass, and other properties; atoms of
different elements differ in size, mass, and other properties.
3. Atoms cannot be subdivided, created, or destroyed.
4. Atoms of different elements combine in simple whole-number ratios to form chemical
compounds.
5. In chemical reactions, atoms are combined, separated, or rearranged.
1.2.1 Thomson’s Plum Pudding or Raisin Bun Atomic Model (1856-1940)
Thomson didn‟t know exactly how positive electric charge was distributed in an atom, so he
considered the case that was easiest to describe mathematically. He developed a model in which
a positive charge is uniformly distributed in an electron imbedded sphere in such a way that
attraction of the positive charge just offsets the repulsion among the electrons. This somehow
resembles raising pudding.
Figure 1.1. Thomson‟s plum pudding or raisin bun atomic model
However, this model was discarded as more information on atomic structure was discovered.
Later on Rutherford proposed another Model.
1.2.2 Rutherford’s Nuclear Model of Atom (1871-1937)
Rutherford used α-particles (alpha particles), doubly ionized helium atom, He2+ to probe the
structure of matter. Based on Thomson‟s model of the atom, Rutherford expected that most α
particles would pass through atoms un-deflected. However, also he expected that any of the
positively charged α-particles that come close to an electron should be deflected to some extent.
He expected that the extent of deflection would give information about distribution of electron in
an atom. Rutherford, Geiger and Marsden carried out an experiment by bombarding very thin
foils of various metals such as gold, silver and platinum (each metal at a time) with α-particles.
They found that:-
i) Most of the particles went right through the foil undeflected
ii) A few particles were deflected sharply and once in a while α-particles would
bounce right back to the source.
Figure 1.2 Angular Distribution of Rutherford scattering

The deflection and bouncing back of α-particles was a big surprise to Rutherford. “It is about as
incredible as if you had fired an inch shell at a piece of tissue paper and it came back and hit
you”.-Rutherford
SELF-TEST QUESTIONS
i) Why do most of the α-particles pass through straight through the metal foil?
ii) Why some α-particles do appears to rebound from the metal foil?
iii) What factors will affect the extent of scattering of the α-particles?
Figure 1.3 Rutherford planetary or nuclear atomic model
From these observations, Rutherford concluded that

i) The mass of the atom and hence the positive charge was concentrated at the centre of an
atom in a tiny core which he called the nucleus.
ii) When the positively charged α-particles approached the positively charged nucleus it was
repelled and therefore sharply deflected.
iii) Electrons remained in the atom because they are strongly attracted to the positively
charged nucleus.
This implies that
i) Major space in an atom is empty – A large fraction of α-particles passed through the gold
sheet without getting deflected. Therefore, the major part of an atom must be empty.
ii) The positive charge in an atom is not distributed uniformly and it is concentrated in a very
small volume – Few α-particles when bombarded were deflected by the gold sheet. They
were deflected minutely and at very small angles. Therefore he made the above
conclusion.
iii) Very few α-particles had deflected at large angles or deflected back. Moreover, very few
particles had deflected at 180o. Therefore, he concluded that the positively charged
particles covered a small volume of an atom in comparison to the total volume of an atom.
An atom therefore is mostly empty space, with electrons orbiting a fixed predictable set paths around a positively
charged nucleus.
Limitations of the Rutherford’s atomic model.
They are:
 Rutherford‟s model was unable to explain the stability of an atom. According to Rutherford‟s
postulate, electrons revolve at a very high speed around a nucleus of an atom in a fixed orbit.
However, Maxwell explained accelerated charged particles release electromagnetic radiations.
Therefore, electrons revolving around the nucleus will release electromagnetic radiation.
 The electromagnetic radiation will have energy from the electronic motion as a result of
which the orbits will gradually shrink. Finally, the orbits will shrink and collapse in the
nucleus of an atom. According to the calculations, if Maxwell‟s explanation is followed
Rutherford‟s model will collapse with 10-8 seconds. Therefore, Rutherford atomic model was
not following Maxwell‟s theory and it was unable to explain an atom‟s stability.
 Rutherford‟s theory was incomplete because it did not mention anything about the
arrangement of electrons in the orbit. This was one of the major drawbacks of Rutherford
atomic model.
Conclusion
Even though the early atomic models were inaccurate and could not explain the structure of
atom and experimental results properly. But it formed the basis of the quantum mechanics that
and helped the future development of quantum mechanics.
Go to Bohr‟s model in section 1.2.5
ACTIVITY
Describe the experimental basis for believing that the nucleus occupies a very small fraction of
the volume of the atom
For better understanding of the modern models, knowledge of wave mechanics is necessary. The
next section reviews some aspects of wave, especially electromagnetic wave.
1.2.3 The Nature of Electromagnetic Radiation
Electromagnetic radiation
Electromagnetic radiation (EMR) refers to the energy or waves (thus their quanta, photons) of
the electromagnetic field, propagating (radiating) through space carrying electromagnetic radiant
energy. It includes radio waves, microwaves, infrared, (visible) light, ultraviolet, X-, and gamma
radiation.
It is the mode of transfer of energy from one source to a recipient. This brings in the concept of a
WAVE- This will be looked at latter.
Waves involve the transport of energy without the transport of matter. A wave can be described
as a disturbance that travels through a medium, transporting energy from one location (its
source) to another location without transporting matter.
Much of our current understanding of the electronic structure of atoms has come from analysis of
the light emitted or absorbed by substances. To understand the basis for our current model of
electronic structure, therefore, we must first learn more about light. The light that we can see
with our eyes, visible light, is type of electromagnetic radiation. Electromagnetic radiation
carries energy through space in the form of wave.
Electromagnetic radiation consists of packets (quanta) of oscillating electric and magnetic fields
which are perpendicular to one another and traveling from the source in the form of a harmonic
wave.
There are many types of electromagnetic radiation in addition to visible light. These different
forms- such as the radio waves that carry music to our radios, the infrared radiation (heat) from
the glowing fireplace, and X-rays used in hospital, may seem very different from one another, yet
they share certain fundamentals characteristics.
ACTIVITY
List the types of the electromagnetic radiation, starting with the radiation having the longest
wavelength and ending with the radiation having the shortest wavelength
Figure 1.5 The Electromagnetic Spectrum
All types of electromagnetic radiation move through a vacuum at speed of 3.00 x 108 ms-1, the
„speed of light‟. They have wavelike characteristics and only differ in their rate of oscillation.
ACTIVITY
i) List the colours in the visible light
ii) Sketch a diagram of Newton‟s experiment that demonstrated that white light is a mixtures of
colours
We will review some terminology used in wave.

To understand quantum theory, we must know something about the nature of waves. A wave can
be thought as a vibrating disturbance by which energy is transmitted. The speed of wave depends
on the type of wave and the nature of the medium through which the wave is traveling (for
example, air, water or a vacuum).
The harmonic wave is characterized by properties such as frequency,  wave length,  and the
wave number, -1.
Figure 1.4 Harmonic wave

A wave is disturbance or oscillation that travels through matter or space, accompanied
by a transfer of energy. Wave motion transfers energy from one point to another, often
with no permanent displacement of the particles of the medium.
The wave length  (Greek Lambda), is the distance between two successive crests or troughs in a
wave and is expressed in meters, m. The frequency  (Greek nu, pronounced as new) is the
number of waves passing a point in unit time (usually one second). Its unit is the Hertz; Hz (i.e.
cycles per second).
All electromagnetic radiation move through vacuum at a speed of 2.998x108ms-1 which is called
the speed of light c.
The wave length and frequency are related by:

c  λ
where c is the velocity of the wave in the medium. In vacuum
c = 2.998x108ms-1.
Common wavelength units for electromagnetic radiation

Unit Symbol Length /m Type of radiation
Angstrom Å 10-10 X-ray
-9
Nanometer nm 10 Ultraviolet, visible
Micrometer µ 10-6 Infrared
Millimeter mm 10-3 Infrared
Centimeter cm 10-2 Microwave
Meter m 10 TV, radio
SELF-TEST QUESTIONS
i) What is the frequency of red light whose frequency is 750 nm?

ii) What is the wavelength in nm whose frequency is 4.5x107Hz?
The reciprocal of frequency is the period of oscillation, T. It indicates the time taken for one
oscillation to pass a point. Hence,
1
T 

The reciprocal of the wavelength, -1, is known as the wave number. The wave number indicates
the number of waves accommodated in unit length. Thus, since
c  
then,
1 
 
 c
The SI unit for wave number is reciprocal metres, m-1, although most of the literature values are
given in cm-1. The electric and the magnetic fields interact with matter leading to a spectrum.
1.2.4 Plank’s Quantum Theory –Quantized Energy and Photons

Plank’s quantum theory state that, atoms and molecules emit or absorb energy only in
discrete quantities (whole numbers), like small packets or bundles.
Max Planck showed that the energy of light is proportional to its frequency, also showing that light exists
in discrete quanta of energy.
Key Points
 In the late 18th century, many physicists believed that they had made great progress in physics,
and there wasn't much more to be discovered. However, by the early 20th century, physicists
discovered that the laws of classical mechanics break down in the atomic world.
 The photoelectric effect could not be rationalized based on the theories of light that were
prevalent when it was discovered, as an increase in the intensity of light did not lead to the same
outcome as an increase in the energy of the light.
 Planck postulated that the energy of light is proportional to the frequency, and the constant that
relates them is known as Planck's constant, h. His work led to Albert Einstein determining that
light exists in discrete quanta of energy, or photons.
The packets of electromagnetic radiation are known as quanta (singular: quantum) or photons.
Each photon has energy, E, given by:
E  h
Where h = Planck‟s constant = 6.6262x10-34J s photon-1.
 = frequency of wave in Hertz
According to Plank‟s quantum theory, energy is always emitted in whole number multiples of h
, for example 2h , 3h , 4h …., but never fractions
Plank’s quantum theory state that, atoms and molecules emit or absorb energy only in
discrete quantities (whole numbers), like small packets or bundles.
Max Planck showed that the energy of light is proportional to its frequency, also showing that light exists
in discrete quanta of energy.
Key Points
 In the late 18th century, many physicists believed that they had made great progress in physics,
and there wasn't much more to be discovered. However, by the early 20th century, physicists
discovered that the laws of classical mechanics break down in the atomic world.
 The photoelectric effect could not be rationalized based on the theories of light that were
prevalent when it was discovered, as an increase in the intensity of light did not lead to the same
outcome as an increase in the energy of the light.
 Planck postulated that the energy of light is proportional to the frequency, and the constant that
relates them is known as Planck's constant, h. His work led to Albert Einstein determining that
light exists in discrete quanta of energy, or photons.
The packets of electromagnetic radiation are known as quanta (singular: quantum) or photons.
Each photon has energy, E, given by:
E  h
Where h = Planck‟s constant = 6.6262x10-34J s photon-1.
 = frequency of wave in Hertz
According to Plank‟s quantum theory, energy is always emitted in whole number multiples of h
, for example 2h , 3h , 4h …., but never fractions
The Photoelectric Effect
This is a phenomenon of ejection of electrons from certain metal surfaces when irradiated with
high energy electromagnetic radiation like ultraviolet light. It was first recognized by Heinrick
Hertz in 1887. He observed that, under the right conditions, when light is shined on certain metal
surfaces, electrons are released.
The photoelectric effect occurs when light above a certain frequency (the threshold frequency) is
shone on metals like zinc, this causes electrons to escape from the zinc. The escaping electrons
are called photoelectrons. Thus Photoelectric effect refers to the emission, or ejection, of
electrons from the surface of, generally, a metal in response to incident light.
 the frequency of the light needed to reach a particular minimum value (depending on the
metal) for photoelectrons to start escaping the metal
 the maximum kinetic energy of the photoelectrons depended on the frequency of the light not
the intensity of the light
The above two observation can only be explained if the electromagnetic waves are emitted in
packets of energy (quanta) called photons, the photoelectric effect can only be explained by the
particle behaviour of light.
The photoelectric equation involves;
 h = the Plank constant 6.63 x 10-34 J s

 f = the frequency of the incident light in hertz (Hz)
 ϕ = the work function in joules (J)
 Ek = the maximum kinetic energy of the emitted electrons in joules (J)
h    EK
Work function
Work function is the minimum quantity of energy that is required to remove an electron to
infinity from the surface of a given solid, usually a metal. At the threshold frequency, h  
Millikan’s Experiment
Millikan carried out an experiment to determine the work function and the threshold frequency.
He used alkali metals, Li. Na, and K and measured the maximum kinetic energy as a function of
frequency of incident radiation. His experimental set up was as presented below.
Figure 1An assembly of Millikan’s experimental setup
The results obtained were a plot of frequency against energy (eV) as presented in a graphical
representation shown below.
Figure 2A plot of frequency against energy

He obtained straight line graphs with an intercept of the horizontal axis = Wo/h. At that point,
eV=0. Thus the threshold frequency vo is given by

h     
h
Kinetic energy of the electrons can be measured by adjusting the potential on the anode until no
current is recorded on the current indicator. The measured voltage (eV) is called the stoppage
voltage and must be equal to the kinetic energy of the electrons ejected.
1 1
eV  mv 2  h  eV  mv 2  
2 2
Sample question
Given that gold has a work function of 4.82 eV. A block of gold is illuminated with UV
radiation of 160 nm. Given that 1 ev = 1.602 × 10 −19 joules and 1 nm is 10 −9 m, calculate the
threshold frequency of electromagnetic radiation required to eject electrons from a gold surface.
Wo or ϕ = minimum energy required to dislodge the electron from the metal

SELF-TEST QUESTIONS
1 For radiation having  = 2.0x10-7 m, calculate:

(i) E (kJmole-1)
(ii) v
(iii) -1
2 Explain why X-ray is more energetic than microwave radiation
3 Briefly explain Plank‟s quantum theory.
4 Give two familiar, everyday example to illustrate the concept of quantization
1.2.4 Hydrogen Spectrum
When sodium chloride is heated strongly in a Bunsen, it gives off a brilliant yellow light. Some
other compounds also emits light when they are heated in this way. It has been noticed that
compounds of one particular element always emit the same color of light when excited. This
brought in a chemical study for identification of such elements called flame test
SELF-TEST QUESTIONS
1. What colour of light is emitted by:

a. Potassium compounds
b. Calcium compounds
c. Copper compounds
2. What are emission spectra?
3. Distinguish line and continuum spectra
Some gaseous materials emit light when they are subjected to large potential differences in
electric discharge tubes. Neon advertising signs work in this way and the yellow sodium street
lamps are discharge tubes containing sodium vapour.
When the light emitted by these substances is examined using spectroscope, it was found NOT to
consist of a continuous range of colours like that of the spectrum of white light or colours in a
rainbow. INSTEAD, the light emitted by these substances is composed of separate lines of
different colour. This kind of spectrum is called a line. Each element display a characteristic
spectrum as first pointed out by Kirchhorff in 1859. This is due to the number of electrons in that
atom and the position of the affected electrons. This brings the idea of electron coordinates. The
law governing the distribution of observed lines in a spectrum was discovered by Balmer and
Rydbeg. The interpretation of this law in terms of atomic structure began with the work of Bohr
in 1913. It revealed that a study of spectra could provide a wealth of information about the
atomic structure. This has provided a key to the interpretation of many of the spectra of more
complex atoms.
Bohr’s theory in Science

This is a theory of atomic structure in which the hydrogen atom (Bohr atom,) is assumed to consist of
a proton as nucleus, with a single electron moving in distinct circular orbits around it, each orbit
corresponding to a specific quantized energy state: the theory was later extended to other atoms. He
considered an early model of atomic structure, in which electrons circulate around the nucleus in
discrete, stable orbits with different energy levels. This model was the first to predict and explain the
atomic spectrum of the hydrogen atom, which arises as the electron jumps from one orbit to another
orbit of lower energy, giving off electromagnetic radiation of predictable frequencies. Later models of
atomic structure abandoned the idea of circular orbits, and explained the stable orbits as standing
waves
In the visible region, the spectrum of hydrogen was known to consist of 4 main lines:
Red 656.3 nm
Blue 486.1 nm
Violet 434.0 and 410.2 nm
Denoted as Hα, Hβ, Hγ and Hδ respectively.
Near the ultra violet there were other lines getting closer together converging to a limit of 364.6
nm
continous
H H H H spectrum
(ultravioltet)
434.0 nm
486.1 nm
364.6 nm
656.3 nm
(violtet)
410.2 nm
(red)
(red)
Figure 1.6 The Balmer series of atomic hydrogen excited by electric discharge. The dark
lines correspond to the bright emission lines of the spectrum.
SELF-TEST QUESTIONS
Explain why lines getting closer together converging to a limit and continuum
It was discovered by Balmer as early as 1885, that the wavelength (λ) of the nine lines, then
known in this spectrum, could be accurately expressed by a single formula;
kn 2
 (1)
n2  22
Where k is a constant and n is an integer.
The different wavelength corresponding to the lines Hα, Hβ, Hγ and Hδ etc. are obtained by
putting the integers 3, 4, 5, 6 etc respectively in place of n. This set of line constitutes a spectral
series and is known as the Balmer series.
Expressing in terms of wave numbers, equation (1) is rearranged as


1  1 1
v    R 2 2  n 2  (2)
 
Where R is a constant called the Rydberg constant; R=109677.8 cm-1.
n was an integer which can take all values greater than 2. Thus n=3,4, 5…∞.
 - the wave number, i.e. the number of wavelength in unit length.
The hydrogen spectrum was investigated in the far (UV) ultra violet, IR (infra red) regions and
revealed that there were few other series such as Lyman (UV region), Paschen and Brackett and
Pfund.
All these series were found to be in excellent agreement with the general equation

1  1 1 
v    R n 2  n 2  (3)
 i f 
This is the universal formula for the atomic hydrogen spectrum. Where i=initial and f=final
Calculate the wavelength of electromagnetic radiation emitted by the hydrogen atom in the
electron transition from n=4 to n=3.
RH= -2.180 x 10-18 J; h = 6.626 x 10-34 Js
Where n1 and n2 are integers somehow defining the energy stages of the atom.
The atomic spectrum of hydrogen atom
Series Region n1 n2
Lyman Ultravilotet 1 2, 3, 4, 5…..∞
Balmer Visible 2 3, 4, 5, 6…..∞
Paschen Near infrared 3 4, 5, 6, 7…..∞
Brackett Far infrared 4 5, 6, 7, 8…..∞
Pfund Far infrared 5 6, 7, 8, 9…..∞
Though equation (3) represented with great precision the entire known spectrum of atomic
hydrogen, it was however an empirical formula described from experiment. The interpretation of
this correct but un-derived formula was first given by theory of Niels Bohr (1913).
a) Discuss the usefulness of the atomic hydrogen spectrum in the process of establishing the
structure of the atom.
1.2.5 Bohr Model of Atom (1913)
He introduced the first quantized model of the atom in 1913, in an attempt to overcome a major
shortcoming of Rutherford's classical model. In classical Rutherford's electrodynamics, he had
stated that a charge moving in a circle should radiate electromagnetic radiation. If that charge
were to be an electron orbiting a nucleus, the radiation would cause it to lose energy and spiral
down into the nucleus. Bohr solved this paradox with explicit reference to Planck's work: an
electron in a Bohr atom could only have certain defined energies En
hCR
En 
n2
where „c‟ is the speed of light in vacuum, R∞ is an experimentally-determined constant (the

Rydberg constant) and n is any integer (n= 1, 2, 3, …). Once the electron reached the lowest
energy level (n = 1), it could not get any closer to the nucleus (lower energy). This approach also
allowed Bohr to account for the Rydberg formula, an empirical description of the atomic
spectrum of hydrogen, and to account for the value of the Rydberg constant R∞ in terms of other
fundamental constants.
Bohr also introduced the quantity h/2π, now known as the reduced Planck constant, as the
quantum of angular momentum.
Thus in order to explain the hydrogen spectrum, Bohr made the following assumptions governing
the behaviour of electrons:-
1. Electrons revolve in orbits of specific radius around the nucleus without emitting radiation
2. Within each orbit, each electron has a fixed amount of energy and angular momentum given
by mvr = h/2π;
3. Electrons in orbits further from the nucleus have greater energies. This because of high „r‟
4. An electron may „jump‟ from one orbit of high energy to another of lower energy causing the
energy difference to be emitted as a photon of electromagnetic radiation such as light.
An electron may absorb a photon of radiation and jump from a lower-energy orbit to a higher-
energy one. Energy change involved is given by:-
From that information, the Bohr model of an atom can be shown as:-
Bohr model of an atom
Figure 3A schematization of the Bohr model of the hydrogen atom. The transition shown from the n=3 level to
the n=2 level gives rise to visible light of wavelength 656 nm (red), as the model predicts.
One of the implication of these quantized energy states is that only certain photon energy are
allowed when electrons jump down from high to lower levels producing the hydrogen spectrum.
n=6
n=5
n=4
n=3
n=2
n=1
Lyman Balmer Paschen Brackett Pfund
series series series series series
Figure 1.8. Various series in hydrogen spectrum.

See question 2 b of Naomi‟s cat
Go to Bohr‟s model in section 1.2.3 Electromagnetic Radiation and 1.24 hydrogen spectra
For a hydrogen atom, the energy of electron in a „n‟ energy level is given by:
Z 2 me 4 1 18 Z
2
En    2.18 x10 J
8h 2 02 n 2 n2
or
Z 2 me 4 1 Z2
E n   2 2 2  13.6 2 eV
8h  0 n n
Where
m-mass of electron 9.1079x10-31 kg
e-electronic charge 1.602x10-19 C
h-Plank‟s constant 6.626x10-34 J s
ε0-permitivity of free space 8.854188x10-12 C2 s2 kg-1 m-3
Z-nuclear charge
E  En2  En1
1 1
E  2.18 x1018 Z 2  2  2  J
 n1 n2 
or
 1 1 
E  13.6Z 2  2  2  eV
 n1 n2 
SELF-TEST QUESTIONS
i) Calculate the frequency and wavelength of the emitted photon when electron drops
from the n=5 to the n=2 level in a hydrogen atom
Z 2 me 4 1
ii) Derive the expression En  
8h 2 02 n 2
iii) Explain why elements produce their own characteristic colours when they emit
photons
1.2.5.1 Failures of the Bohr Model

While the model was a major step towards understanding the quantum theory of the atom, it is not
in fact a correct description of the nature of electron orbit.
Some of the shortcomings of the models are:-

1. It fails to provide any understanding why some spectral lines are brighter than others.
2. There is no mechanism for the calculation of transition probability.
3. The Bohr model treats electrons as if they were miniature planets with definite radius and
momentum. This is a direct violence of the Heisenberg uncertainty principle which dictates
that position and momentum cannot be simultaneously determined.
In summary the model only:-
1. It helped in explaining the spectra of hydrogen-like (single electron around a positive nucleus)
atoms.
2. It gives a form of physical image of an atom
Thus the Bohr model gives us a basic conceptual model of electrons orbit and energies. The
precise details of spectra and charge distribution must be left to quantum mechanical calculations
as with the Schrödinger equation.
ACTIVITY
1 What is an energy level? Explain the difference between a ground state and an
excited state
2 Explain the meaning of the negative sign in the Bohr‟s equation
3 How does Bohr‟s theory differ from concepts of classical physics?
Electron Energy Levels
At the beginning of this century, it was already known that atoms were made of protons at the
center (the nucleus) and electrons orbiting around them. Scientists later realized that the light
emitted from a particular type of atom occurred at specific frequencies. That is, the light given
off by a collection of atoms in the gas phase could only be of certain colors. To explain this
observation, Niels Bohr proposed that electrons inside an atom occupy only certain allowed
orbitals with a specific energy. In other words, the energy of an electron in an atom is not
continuous, but 'quantized.' The energies corresponding to each of the allowed orbitals are called
energy levels.
Lecture 2
2 Lecture 2 Objectives or Aims

At the end of this unit you should be able to;
(a) explain the dual nature of matter and wave
(b) describe qualititatively the Schrödinger equation and the
quantum numbers
(c) draw the shapes of atomic orbitals
(d) explain the Pauli‟s exclusion principle and write electronic
configuration
2.0 Introduction
In this lecture, we will seek to explain phenomena at atomic and molecular level, classical physics
is inadequate. However it is only the quantum theory that adequately gives an ample explanation.
This Lecture seeks to describe the current quantum model of an atom. Even if the concept
requires knowledge of some mathematics and physics, we will seek to explain it without
rigorously solving those equations.
In high school you learnt electronic configuration of atoms.
 The electrons are arranged in energy levels, labeled n=1, 2, 3, 4 etc.
 That the maximum number of electrons in each energy level is given by 2(n) 2.
o The first energy level can have a maximum of 2(1)2=2
o The second energy level can have a maximum of 2(2)2=8
o The third energy level can have a maximum of 2(3)2=18
o And so on
No explanation was given at that time.
The table below gives the electronic configuration of the first twenty elements
Atom Atomic number Electronic configuration

H 1 1
He 2 2
Li 3 2, 1
Be 4 2, 2
B 5 2, 3
C 6 2, 4
N 7 2, 5
O 8 2, 6
F 9 2, 7
Ne 10 2, 8
ACTIVITY
Using the knowledge learnt in high school write the electronic configuration of the next ten
elements (i.e. sodium to calcium)
Atom Atomic number Electronic configuration
Na 11
Mg 12
Al 13
Si 14
P 15
S 16
Cl 17
Ar 18
K 19
Ca 20
We will now learn a more detailed method of writing electronic configuration of elements.
2.1.0 Quantum Model of an Atom-Start
Our current understanding of the electronic structure of an atom is expressed in terms of quantum
mechanics. A fundamental concept of quantum mechanics is that all matter has wave and
particle-like properties.
2.2 De Broglie Equation- Dual Nature of Matter
Physicists were mystified but intrigued by Bohr‟s theory. They questioned why is the electron in
Bohr atom restricted to orbiting the nuclear at fixed discreet distances? In 1924 the French
physicist Louis de Broglie provided a solution to this puzzle. De Broglie reasoned as follows: If
light waves can behave like a stream of particles (photons), then perhaps particles such as
electrons posses‟ wave like properties.
In quantum mechanics, the concept of matter waves (or de Broglie waves) reflects the wave-
particle duality of matter. The theory was proposed by Louis de Broglie in 1924 in his PhD thesis.
The de Broglie relations show that the wavelength is inversely proportional to the momentum of a
particle, and is also called de Broglie wavelength.
:
•Light can behave both as a wave and as particles (photons). Likewise all matter (e.g., electrons,
protons & neutrons) can also behave as waves.
Einstein derived in his theory of special relativity that the energy and momentum of a photon has
the following relationship
From Einstein relativity theory:
E  mc 2
The fundamental law relating energy E, rest mass m0 and momentum p of a particle is
2
E
   p  m0 c
2 2 2
c
 
E
The rest mass of a photon is zero, so m0=0 and therefore momentum is p 
c
From Plank‟s quantum theory, packet or bundle of energy is called a photon and can be
expressed as:-
E  hv
hc h
Therefore E  hv  mc   mc 2 This means that  mc
2
 
But the momentum of a photon p  mc
hv h
p  mc  
c 
h
Implying  
p
Where = wavelength of the moving particle;
h= Planck's constant 6.626 x 10-34 J.s
m= mass of the moving particle.
The equation show that, the larger the momentum, the smaller the wavelength.
That is, all particles in motion have a wavelength that depends on the particle‟s momentum.
The total energy E is equal to the sum of potential V and kinetic T energies E  V  T
1 2 p2
If p  mc  p 2  m 2 c 2 but T  mc  T  Therefore p  2mT
2 2m
h h
Knowing that   therefore it can be re-written as   and since E  V  T then
p 2 mT
h

2m( E  V )
In 1927, Davisson and Germer at Bell Laboratories showed that when a beam of electrons was
directed at a nickel crystal, a diffraction pattern was observed.
2.2.1 Heisenberg Uncertainty Principle
Due to the dual nature of matter, both particles and wavelike properties, it is impossible to
simultaneously determine with high precision both the position and momentum of an object
especially as small as an electron. There is a minimum for the product of the uncertainties of these
two measurements. There is likewise a minimum for the product of the uncertainties of the energy
and time.
hc h h
Given that E  hv  mc   mc 2 This means that  mc  p 
2
  
h 
But involving the Dirac constant   then p 
2 2
h 
Δx Δp   xp 
 2
Where Δx = uncertainty in position
Δp = uncertainty in momentum
This is not a statement about the inaccuracy of measurement instruments, or a reflection on the
quality of experimental methods; it arises from the wave properties inherent in the quantum
mechanical description of nature. Even with perfect instruments and technique, the uncertainty is
inherent in the nature of things.
Example problem
Calculate the uncertainty in the position of an electron (mass = 9.1 x 10-34 kg) moving
with a velocity 300 m s-1 , accurate up to 0.001%, will be: (h= 6.63 x 10-34 J s)
Solution
According to Heisenberg's uncertainty principle, the product of uncertainties in position (Δx)

and velocity (Δv) is always equal to or greater than h/nπ.
i.e.
What is the meaning of "accurate up to 0.001%"?
It indicates that the uncertainty in velocity is 0.001% of actual value, 300 m s-1.
i.e.
uncertainty in velocity (Δv) = 300 x 0.001 / 100 = 3 x 10-3 m s-1
Thus
The uncertainty in position (Δx) can be calculated as follows:
Note: n = 4 for electron.
Conclusion:
The correct option is "c".
Related questions
1) If the uncertainties in velocities of two particles A and B with mass 1.0 x 10-27
kg and 1.0 x 10-31 kg respectively are same, the ratio of uncertainties in the
positions of A and B is:
(EAMCET 2011-E)
a) 1000 :1
b) 10,000:1
c) 1: 1000
d) 1:10,000
Logic & solution:
The uncertainty in position, Δx is given by the expression:
The ratio of uncertainties in positions for A and B is:
Note: h/nπ is constant and Δv values are same.
Conclusion:
Correct option is "c".
2) The uncertainties in the velocities of two particles A and B are 0.05 and 0.02 m
s-1 respectively. The mass of B is five times to that of mass A. What is the ratio of
uncertainties?
(EAMCET 2006-E)
a) 2
b) 0.25
c) 4
d) 1
Logic & solution:
The uncertainty in position, Δx is given by the expression:
The ratio of uncertainties in positions for A and B is:
Note: mB = 5mA
Conclusion:
Correct option is "a".
3) Uncertainty in position of a particle of 25 g in space is 10 -5 m. Hence,

uncertainty in velocity (m s-1) is: ( Planck’s constant, h = 6.6 x 10-34 J s)
(AIEEE 2002)
a) 2.1 x 10-28
b) 2.1 x 10-34
c) 0.5 x 10-34
d) 5.0 x 10-24
Logic & solution:
The uncertainty in velocity, Δv is given by the expression:
Conclusion:
Correct option is "a".
4) In an atom, an electron is moving with a speed of 600 m/s with an accuracy of

0.005%. Certainty with which the position of the electron can be located is:
(h=6.6 x 10-34 kg m2 s-1; mass of electron, em = 9.1 x 10-31 kg )
(AIEEE 2009)
1) 1.52 x 10-4 m
2) 5.10 x 10-3 m
3) 1.92 x 10-3 m
4) 3.84 x 10-3 m
Logic & solution:
Since the accuracy in velocity is 0.005%, uncertainty in velocity, Δv = 600 x 0.005 / 100 = 3 x
10-2 m s-1.
Uncertainty in position will be:

Conclusion:
Correct option is "3".
2.3 Wave-Like Property of an Electron
A wave is a disturbance that travels through a medium, transporting energy from one location (its
source) to another location without transporting matter.
The path of an electron in an atom is viewed as a standing wave. Some common examples of
standing waves are: a string attached at both ends to produce a musical tone in a guitar and violin.
Figure 2.1 standing wave
We use the mathematical function Ψ (Greek Psi), called wavefunction to describe the wave-like
behavior of an electron in its path (a region of space called the atomic orbital).
 Ψ has positive and negative amplitudes, like any wave.
Figure 2.2
o Due to the wave-like behavior of an electron, we cannot pin down its position and momentum
at the same time (Heisenberg Uncertainty Principle).
o In other words, we do not know the exact location of an electron and how it moves from one
spot to another in an atom.
o Instead, we can only speak of the probability of finding an electron in a given volume of
space. This is given by the function Ψ2.
2.4 Schrödinger Wave Equation
Based on the wave-particle dual nature of electron, Schrödinger developed a partial differential
equation to describe the behavior of an electron around an H atom. From this development, he
received Nobel Prize in 1933.
 2ψ  2ψ  2ψ 8π 2 m
   E  V ψ  0
x 2 y 2 z 2 h2
Schrödinger equation for a hydrogen atom
o This equation shows the relationship between the wavefunction of the electron Ψ, and E
and V, the total and potential energies of the system, respectively. The derivation of this
equation is beyond the scope of this course (will be derived in SCH 200).
o There are many solutions to the Schrödinger's equation. Each solution is represented by
the wavefunction, Ψ, which describes an atomic orbital. The Uncertainty Principle tells
us that we cannot pin down the exact location and momentum of an electron at the same
time. So chemists speak of "electron cloud" or electron density around a nucleus.
o An atomic orbital is defined as the boundary surface encloses 95% of the electron density
for a particular wavefunction Ψ. Each atomic orbital (Ψ) may be uniquely defined by a
set of three quantum numbers n, l and ml:
Where:-
n = the principal quantum number
l = the orbital angular quantum number
ml = the magnetic quantum number
Since electron behaves as if it is spinning about an axis, a spin quantum number ms is also
required to uniquely described an electron in an atomic orbital.
Figure 2.2 Spinning electron
Orbitals that have the same or identical energy levels are referred to as degenerate. An example
is the 2p orbital: 2px has the same energy level as 2py. This concept becomes more important
when dealing with molecular orbitals. The Pauli Exclusion Principle states that no two
electrons can have the same exact orbital configuration; in other words, the same quantum
numbers. However, the electron can exist in spin up (ms = +1/2) or with spin down (ms = -1/2)
configurations. Thus no two electrons can have the identical quantum mechanical state in the
same atom. No pair of electrons in an atom can have the same quantum numbers n, l, ml and ms.
This means that the s orbital can contain up to two electrons, the p orbital can contain up to six
electrons, the d orbital can contain up to 10 electrons, and the f orbital can contain up to 14
electrons.
2.5 Quantum Numbers and their Properties
Symbol Name Allowed Values Properties
n Principal Quantum Number n = 1, 2, 3, 4, ...  determines the size and energy of an atomic orbital
 As n increases, the number of allowed orbitals increases, the size and

energies of those orbitals also increase.
l Orbital Angular Quantum l = 0, 1, 2, ..., n-1  Describe the shape of an atomic orbital
Number
l=(n-1)
ml Magnetic Quantum Number ml = -l, ..., -(l-1), 0, 1, 2, ... +l Describe the directionality of an atomic orbital
ml=(2l+1)
ms Spin Quantum Number ms = - ½, + ½  Describes the orientation of the electron spin in space
Orbitals with different l values are known by the following labels:
l 0 1 2345…
Label s p dfgh…
Allowed values enable us to know the maximum number of electrons in each energy level
n l ml and ms
1 0 0
↑↓ 2 electrons in 1s orbital
Total of 2 electrons in the first energy level
2 0 0
1 -1 0 1
↑↓ ↑↓ ↑↓ 6 electrons in 2p orbital
Total of 8 electrons in the first energy level; 2 in s orbital and 6
in p orbitals
3 0 0
1 -1 0 1
↑↓ ↑↓ ↑↓ 6 electrons in 3p orbital
2 -2 -2 0 0 2
↑↓ ↑↓ ↑↓ ↑↓ ↑↓ 10 electrons in 3d orbital
Total of 18 electrons in the first energy level; 2 in s orbital, 6 in
p orbitals and 10 in d orbitals
ACTIVITY
Using the same argument, show the maximum number of electrons for n =4.
2.5.1 Relationship between quantum numbers and atomic orbitals
There is a relationship between the quantum numbers and the atomic orbitals (ml). When l=0,
(2l+1)=1 means a maximum of one orbital. Thus, a single value of ml implying one s orbital.
When l=1, (2l+1)=3, so there are a maximum of three values of ml (orbitals); giving three p
orbitals, labeled px, py, and pz. When l=2, (2l+1)=5, and there are five values of ml (orbitals), and
thus corresponding to five d orbitals which are labeled with more elaborate subscripts. This is
shown in the table 2.5.1 below.
n l ml Number of Atomic orbitals

orbitals Designation
1 0 0 1 1s
2 0 0 1 2s
2.5.2
1 -1 0 1 3 2px, 2py, 2pz
Electron
Coordin
3 0 0 1 3s
ates
1 -1, 0, 1 3 3px, 3py, 3pz
2 -2,-1, 0, 1,2 3 d xy , 3d yz , 3d xz , 3d x 2  y 2 , 3d z 2
The four quantum
numbers n, l, ml and ms enable us to label completely an electron in any orbital in any atom. For
example, the four quantum numbers for a 2s orbital electron are n=2, l=0, ml=0 and either ms=+½
or ms=-½ i.e. ±½. In practice it is inconvenient to write out all the individual quantum numbers,
and so we use the simplified notation (n, l, ml, ms). For the example above, the quantum numbers
are (2, 0, 0, +½) or (2, 0, 0, -½). The value of ms has no effect on the energy, size, shape, or
orientation of an orbital, but it plays a profound role in determining how electrons are arranged in
an orbital.
What is the notation for the subshell in which n=4 and l=3? How many orbitals are in this
subshell?
The table below can answer the above question

n Possible Subshell Possible vaalue of ml No of orbitals in Total number of
value of l designation subshell orbitals in
subshell
1 0 1s 0 1 1
2 0 2s 0 1 4
1 2p 1, 0, -1 3
3 0 3s 0 1 9
1 3p 1, 0, -1 3
2 3d 2, 1, 0, -1, -2 5
4 0 4s 0 1 16
1 4p 1, 0, -1 3
2 4d 2, 1, 0, -1, -2 5
3 4f 3, 2, 1, 0, -1, -2, -3 7
2.5.3 The Pauli Exclusion Principle
Pauli Exclusion Principle - Definition
The Pauli Exclusion Principle states no two electrons can have the identical quantum mechanical
state in the same atom. No pair of electrons in an atom can have the same quantum numbers n, l,
ml and ms.
It implies that no two electrons in an atom can have the same four quantum numbers. NO two
electrons in an atom should have the same n, l and ml values (that is, these two electrons are in the
same orbital), then they must have different values of ms. In other words, only two electrons can
exist in the same atomic orbital, and these electrons must have opposite spins.
Consider the helium atom, which has two electrons. The three possible ways of placing two
electrons in the 1s orbital are as follows:
↑↑ ↓↓ ↑↓
1s2 1s2 1s2
(a) (b) (c)
From the table, (a) and (b) are ruled out by the Pauli Exclusion Principle. In (a), both electrons
have the same upward spin and would have the quantum numbers (n, l, ml, ms as 1, 0, 0, +½); in
(b), both electrons have the downward spin and would have the quantum numbers (1, 0, 0, -½).
Only the configuration in (c) is physically acceptable, because one electron has quantum numbers
(1, 0, 0, ±½). Thus the helium atom has the following configuration:
He ↑↓
1s2
Note that 1s2 is read “one s two”, not “one s squared”
Briefly explain what you understand by the following terms.

a) Electronegativity
b) Pauli Exclusion principle
SELF-TEST QUESTIONS
i) List the different ways to write the four quantum numbers that designate an electron in
a 3p orbital.
ii) List the different ways to write the four quantum numbers that designate an electron in
a 5d orbital
2.6 Atomic Wavefunctions
As we stated earlier, the concept quantum chemistry requires knowledge of some mathematics
and physics, we will explain it, without rigorously solving those equations. This section
introduces you to some of those concepts. It is meant to help you appreciate that understanding of
mathematics and physics theories are necessary to fully understand the structure of atom. The
pictorial diagrams in section 2.7 are mathematical functions derived from those equations.
h h
 and  
p 2m( E  V )
In applications where it is natural to use the angular frequency (i.e. where the frequency is
expressed in terms of radians per second instead of rotations per second or Hertz) it is often
useful to absorb a factor of 2π into the Planck constant. The resulting constant is called the
reduced Planck constant or Dirac constant. It is equal to the Planck constant divided by 2π,
and is denoted ħ (often pronounced "h-bar"):
h

2
The energy of a photon with angular frequency ω, where ω = 2πν, is given by
E  
The reduced Planck constant is the quantum of angular momentum in quantum mechanics.
The Planck constant is named after Max Planck, the founder of quantum theory, who
discovered it in 1900, and who coined the term "Quantum". Classical statistical mechanics
requires the existence of h (but does not define its value). Planck discovered that physical action
could not take on any indiscriminate value. Instead, the action must be some multiple of a very
small quantity (later to be named the "quantum of action" and now called Planck constant). This
inherent granularity is counterintuitive in the everyday world, where it is possible to "make
things a little bit hotter" or "move things a little bit faster". This is because the quanta of action
are very, very small in comparison to everyday macroscopic human experience. Hence, the
granularity of nature appears smooth to us.
Thus, on the macroscopic scale, quantum mechanics and classical physics converge at the
classical limit. Nevertheless, it is impossible, as Planck discovered, to explain some phenomena
without accepting the fact that action is quantized. In many cases, such as for monochromatic
light or for atoms, this quantum of action also implies that only certain energy levels are allowed,
and values in-between are forbidden. In 1923, Louis de Broglie generalized the Planck-Einstein
relation by postulating that the Planck constant represents the proportionality between the
momentum and the quantum wavelength of not just the photon, but the quantum wavelength of
any particle.
1. A wavefunction ψ describes an atomic orbital as shown in Figure 2.6.1. For most calculations, it
is simpler to solve the wave equation if ψ is converted from the Cartesian coordinates (x, y, z) to
spherical Ψ coordinates (r, θ, φ). The two sets of coordinates are related by:
x  r sin cos
y  r sin  sin 
z  r cos
Figure 2.6.1. The relationship between Cartesian and polar coordinates (diagram taken from
Atkins & Shriver).
2 In spherical coordinates, y can be factored into a radial wavefunction R, and an angular

wavefunction A:
( x , y ,z )  R( r ) A( , )
3 Radial wavefunction R(r):
This describes how the electron density changes with distance from the nucleus
s orbitals have finite electron density [ R (r )  0 ] at the nucleus but this drops off exponentially as
the distance from the nucleus increases.
Other orbitals (e.g., p and d orbitals) have zero electron density [R (r) = 0] at the nucleus.
Figure 2.6.2 Plot of Radial Wavefunction (in atomic units) versus distance r (in atomic units) from the
nucleus (diagram from Miessler & Tarr).
The point at which the radial wavefunction R (r )  0 (except the origin) is called a radial node.
The sign of the radial wavefunction R (r) changes (from +ve to -ve or vice versa) after passing the
radial node
 The number of radial nodes for a given orbital is given by: [ n  (l  1) ].
 ns orbitals have (n-1) radial nodes. E.g. 2s has 1 radial node.

 np orbitals have (n-2) radial nodes. e.g. 2p has 0 radial node, 3p has 1 radial node.
 nd orbitals have (n-3) radial nodes. E.g. 3d has 0 radial node, 5d has 2 radial nodes.
 nf orbitals have (n-4) radial nodes. E.g. 4f has 0 radial node.
1. 1s orbital: no radial node.

2. 2s orbital: two regions of maximum probability, separated by a spherical surface of zero
probability. (1 radial node)
3. 3s orbital: Three regions of maximum probability, separated by two radial nodes.
Orbital nodes
A node is a place where there is zero probability of finding an electron. A radial node has a
spherical surface with zero probability. P orbitals have an angular node along axes. We usually
indicate the sign of the wave function in drawings by shading the orbital as black and white, or
blue and green. The p orbitals have orientations along the x, y and z axes
1s: no node 2s: one radial node, 2p one angular node 3s: two radial nodes, 3p one radial node
one angular node, 3d two angular nodes
The more nodes the higher the energy of the orbitals. The more the function varies spatially, the
higher the energy.
Figure 2.6.3 Boundary surface diagram of s orbitals and electron density plots showing the
presence of radial nodes (diagram from Zumdahl).
Radial distribution function 4r R(r )

2
4
o Tells us where an electron will be most likely found at a given distance from the nucleus.
o Plots of radial distribution functions for 1s, 2s and 3s orbitals show that there is at least one
maximum and the fact that an electron tends to be further from the nucleus as its principal
quantum number n increases. Therefore the size of an atomic orbital increases as the principal
quantum number n increases.
o Plots of radial distribution functions for 3s, 3p and 3d orbitals show that s orbital has electron
density closest to the nucleus than p and d orbitals. We say that an electron in a „s‟ orbital is more
penetrating than that in a „p‟ or „d‟ orbital.
Plot of radial distribution function 4r R(r ) for 1s, 2s,2p, 3s, 3p, 3d orbitals
2
Figure 2.6.4
of the hydrogen atom (diagram from Miessler & Tarr).
5 Angular wavefunction A( , )

The angular wavefunction describes the shape of an atomic orbital and its orientation in space.
o The angular function A( , ) is determined by the quantum numbers l and ml.
o Angular node (nodal plane): the plane(s) on which the angular wavefunction A( , )  0 . The
sign of the angular wavefunction changes (from +ve to -ve or vice versa) after passing through an
angular node.
The Quantum Atom
Common experience tells us that the behavior of waves is much different than the behavior of
particles. Wave phenomema has many common examples, but all waves share some common
features. Waves have a frequency, a wavelength, a wave velocity, and an amplitude, which may
be examined in the following figure:
For a given type of wave in a given medium, the wavelength  and the frequency  can be related
to the speed of propagation of the wave(wave velocity) as follows:
 = c
For Light (electromagnetic waves) travelling in a vacuum, this speed of propagation is mighty
quick: 2.99792 x 108 m/s.
Light is just one portion (one range of frequencies) of the EM spectrum, which spans vastly
diverse types of radiation:
A device that separates light by its frequency is said to 'disperse' the light. Prisms and raindrops
disperse light by refraction, gratings and holograms by diffraction.
Newton and Einstein both thought that light, although a wave, can also have some properties of a
particle. In fact, they were right. Light actually is a stream of particles called photons. The
amplitude of the light can be related to the number of photons in a given volume, and the energy
of each photon is related to the frequency of the light:
E = h
Where h== Planck's constant = 6.626 x 10-34 Js. When light strikes matter, in particular a
molecule, the entire energy of the photon must be absorbed or emitted. Thus the color of the light
that interacts with a particular piece of matter tells you about the change in energy that is possible
in that matter,
If Light has properties of a particle, surely particles have properties of a wave. DeBroglie showed
that this was in fact the case, in the first equation that has both wave and particle properties
related:
p=h/
When one confines a wave to a particular region of space, the edges of the containment place a
constraint on the wavelength due to 'boundary conditions'. This is how you play different notes on
the same guitar string by moving the position in which you make the wave displacement zero, i.e.
where your finger touches the fret.
Note that the 'boundary conditions' can be satisfied by many different waves (called harmonics)
if each of those waves has a position of zero displacement at the right place. These positions
where the value of the wave is zero are called nodes
(Sometimes we distinguish two types of waves, travelling waves and standing waves, by whether
the nodes of the wave move or not. Our discussion of the atom will pretty much rely on the
standing wave picture of the electron.)
If electrons are waves, then the wavelength of the electron must 'fit' into any orbit that it makes
around the nucleus in an atom. This is the 'boundary condition' for a one electron atom. All orbits
that do not have the electrons wavelength 'fit' are not possible, because wave interference will
rapidly destroy the wave amplitude and the electron wouldn't exist anymore. This 'interference'
effect leads to discrete (quantized) energy levels for the atom. Since light interacts with the atom
by causing a transition between these levels, the color(spectrum) of the atom is observed to be a
series of sharp lines. For the hydrogen atom:
This pattern is described by discrete energy levels of the atom that have energy inversely
proportional to the square of the number of waves in the orbit. We will call this number n, which
is an integer from one to infinity. This integer, n, is more precisely described as the number of
nodes in the wavefunction of the electron plus one.
En = -Z2 RH /n2
This equation works for all one-electron atoms, not just hydrogen. (Here is a more complete
derivation of the Bohr
Atom's Properties. Danger: Advanced). This is precisely the pattern of energy levels that are
observed to exist in the Hydrogen atom. Transitions between these levels give the pattern in the
absorption or emission spectrum of the atom.
o
The frequency of the transitions between the energy levels should be given by
h = E = En2 - En1 = -Z2 RH (1/n22 - 1/n12)
Where the constant RH has the value 2.180 x 10-18 J.
A Note on Signs:
Obviously the change in energy of an atom can be either positive or negative depending on
whether energy is absorbed by the atom from the light field or emitted by the atom to its
surroundings. Yet frequencies (or wavelengths) of light MUST be positive numbers. Thus, in the
equation above, n2 must be greater than n1 for the resulting frequency to be a positive number.
Yet, if the initial principle quantum number of the atom (ninitial) is smaller than the final principle
quantum number (nfinal), photon absorption has taken place and if nfinal is smaller than ninitial,
photon emission has occurred.
To represent the observed spectra of one electron atoms using the above energy spacing, it is
useful to relate the energy of the photon to its wavelength through
E = h and  = c:
o
(1/) = -Z2 ( RH / hc ) (1/n22 - 1/n12) = -Z2 R (1/n22 - 1/n12)
Where R is called the Rydberg Constant and has been precisely measured as 1.096776 x 107 m-
1
.
The energy patterns of atoms give the elements their characteristic 'flame' colors because the light
they emit when heated has specific photon energy:
We know, too, that Sodium is yellow (Streetlights), and Neon is red (Fluorescent Signs), etc...
The wave nature of the electron is what makes atoms have the properties that they do. It explains
the colors of the atoms and also their size. It also means that we cannot think about the electron in
an atom as a little ball whirling about the nucleus, but a cloud of probability that is smeared out
over the orbit.
This cloud is only spherical for the lowest energy level of the atom. As the energy of the electron
in the atom increases, its wavelength decreases, and the number of times the wave amplitude
crosses zero per orbit increases. Again, these zero crossings are called nodes. The number of
nodes is related to the frequency of the wave and therefore its energy.
The greater number of nodes, the greater the energy of the system.
The lowest level of the H atom has no (zero) nodes, the next higher level has 1 node, but that
node can either be an angular node or a radial node. If it is an angular node, then you have a 2p
orbital
If you have a radial node, then you have a 2s orbital (3s shown also)
The number of nodes determines the energy. The Principle quantum number, n, is equal to the
number of nodes less 1, i.e. nodes = n-1. For a hydrogen atom, the energy it takes to make a
radial node is equal to the the energy it takes to make an angular node.
For higher n, you can have a greater numbers of nodes. For n>=3, you can have 2 angular nodes,
and these are called d orbitals
Here are some more pictures of the atomic orbital shapes
The following shows the angular nodes for a 2p orbital:
Similarly for a 3d
orbital (with two angular nodes):
In short, the energy of the atom is determined by the number of nodes which is related to the
principal quantum number „n‟ by: nodes = n-1.
The number of angular nodes is labelled by a letter (s, p, d, f, g, h, i, ....)
s: no angular nodes
p: one angular node
d: two angular nodes

f: three angular nodes
Note: The number of radial nodes is the total number of nodes minus the number of angular
nodes.
Visualizing Electron Orbitals
As discussed in the previous section, the magnetic quantum number (ml ) can range from –l to
+l. The number of possible values is the number of lobes (orbitals) there are in the s, p, d, and f
subshells. As shown in the chart above, the s subshell has one lobe, the p subshell has three
lobes, the d subshell has five lobes, and the f subshell has seven lobes. Each of these lobes is
labeled differently and is named depending on which plane the lobe is resting in. If the lobe lies
along the x plane, then it is labeled with an x, as in 3px. If the lobe lies along the xy plane, then it
is labeled with an x and a y such as dxy. Electrons are found within the lobes. The plane (or
planes) that the orbitals do not fill are called nodes. These are regions in which there is a 0
probability density of finding electrons. For example, in the dyx orbital, there are nodes on planes
xz and yz. This can be seen in the diagrams below.
Radial and Angular Nodes
There are two types of nodes, angular and radial nodes. An angular node is a flat plane,
like those in the diagram above. The ℓ quantum number determines the number of angular nodes
in an orbital. A radial node is a circular ring that occurs as the principle quantum number
increases. Thus, n tells how many radial nodes an orbital will have, according to this equation:
Total # of nodes = n-l-1, where n-1 is the total number of nodes.
For example, determine the nodes in the 3pz orbital, given that n = 3 and ℓ = 1 (because it is a p
orbital). The total number of nodes present in this orbital is equal to n-1. In this case, 3-1=2, so
there are 2 total nodes. The quantum number ℓ determines the number of angular nodes; there is
1 angular node, specifically on the xy plane because this is a pz orbital. Because there is one
node left, there must be one radial node. To sum up, the 3pz orbital has 2 nodes: 1 angular node
and 1 radial node.
Another example is the 5dxy orbital. There are four nodes total (5-1=4) and there are two angular
nodes (d orbital has a quantum number ℓ=2) on the xz and zy planes. This means there there
must be two radial nodes. The number of radial and angular nodes can only be calculated if the
principle quantum number, type of orbital (s,p,d,f), and the plane that the orbital is resting on
(x,y,z, xy, etc.) are known.
5d orbital (two radial nodes and two angular nodes)
Electron Configuration within an Orbital
We can think of an atom like a hotel. The nucleus is the lobby where the protons and neutrons
are, and in the floors above, we find the rooms (orbitals) with the electrons. The principle
quantum number is the floor number, the subshell type lets us know what type of room it is (s
being a closet, p being a single room, d having two adjoining rooms, and f being a suit with three
rooms) , the magnetic quantum number lets us know how many beds there are in the room, and
two electrons can sleep in one bed (this is because each has a different spin; -1/2 and 1/2). For
example, on the first floor we have the s orbital. The s orbital is a closet and has one bed in it so
the first floor can hold a total of two electrons. The second floor has the room styles s and p. The
s is a closet with one bed as we know and the p room is a single with three beds in it so the
second floor can hold a total of 8 electrons.
Each orbital, as previously mentioned, has its own energy level associated to it. The lowest
energy level electron orbitals are filled first and if there are more electrons after the lowest
energy level is filled, they move to the next orbital. The order of the electron orbital energy
levels, starting from least to greatest, is as follows: 1s, 2s, 2p, 3s, 3p, 4s, 3d, 4p, 5s, 4d, 5p, 6s,
4f, 5d, 6p, 7s, 5f, 6d, 7p.
Since electrons all have the same charge, they stay as far away as possiible because of repulsion.
So, if there are open orbitals in the same energy level, the electrons will fill each orbital singly
before filling the orbital with two electrons. For example, the 2p shell has three p orbitals. If
there are more electrons after the 1s, and 2s orbitals have been filled, each p orbital will be filled
with one electron first before two electrons try to reside in the same p orbital. This is known as
Hund's rule.
The way electrons move from one orbital to the next is very similar to walking up a flight of
stairs. When walking up stairs, you place one foot on the first stair and then another foot on the
second stair. At any point in time, you can either stand with both feet on the first stair, or on the
second stair but it is impossible to stand in between the two stairs. This is the way electrons
move from one electron orbital to the next. Electrons can either jump to a higher energy level by
absorbing, or gaining energy, or drop to a lower energy level by emitting, or losing energy.
However, electrions will never be found in between two orbitals.
STABILITY
 usually half full and full orbitals are considered stable

 Reason why half full is considered stable: It's preferred to have each electron paired up
instead of having an unpaired electron for stability. Example: heavy elements like
Copper
Outside links
 http://en.wikipedia.org/wiki/Atomic_orbital
 http://www.chemguide.co.uk/atoms/properties/atomorbs.html
 http://www.fordhamprep.org/gcurran/s...s/lesson36.htm
References
 General Chemistry Principles & Modern Applications. 9th ed. New Jersey: Pearson
Education, Inc, 2007. Print.
 A new Dictionary of Chemistry. 3rd ed. Great Britian: Longman Green & Co., 1961.
Print.
 General Chemistry. USA: Linus Pauling, 1947. Print.
Problems
1. Which orbital would the electrons fill first? The 2s or 2p orbital?

2. How many d orbitals are there in the d sub shell?
3. How many electrons can the p orbital hold?
4. Determine the number of angular and radial nodes of a 4f orbital.
5. What is the shape of an orbital with 4 radial nodes and 1 angular node in the xy plane?
Solutions
1. The 2s orbital would be filled before the 2p orbital because orbitals that are lower in
energy are filled first. The 2s orbital is lower in energy than the 2p orbital.
2. There are 5 d orbitals in the d subshell.
3. A p orbital can hold 6 electrons.
4. Based off of the given information, n=4 and ℓ=3. Thus, there are 3 angular nodes present.
The total number of nodes in this orbital is: 4-1=3, which means there are no radial nodes
present.
5. 1 angular node means ℓ=1 which tells us that we have a p subshell, specifically the pz
orbital because the angular node is on the xy plane. The total number of nodes in this
orbital is: 4 radial nodes +1 angular node=5 nodes. To find n, solve the equation:
nodes=n-1; in this case, 5=n-1, so n=6. This gives us a: 6pz orbital
2.7 Pictorial Representation of Atomic Orbitals
 An atomic orbital is defined as a boundary surface which encloses 95 % of the electron density
for a particular Ψ.
 Atomic orbitals can be represented pictorially by boundary surface diagrams (H&S Fig. 2.7.1,
2.7.2, 2.7.3) or electron density contour plots (see overhead).
s orbitals
 l = 0, ml = 0, the angular wavefunction A( , ) is independent of the angle q and f . Therefore,
an s orbital is spherically symmetrical about the nucleus.
Figure 2.7.1 Boundary surface diagram of an s orbital. (Figure taken from Shriver &
Atkins)
In two dimensions it is represented as:
s orbital
p orbitals
 l = 1; ml = -1, 0, + 1. 3 possible orientation of p orbitals: along the x, y and z axes.
 Dumb-bell shaped; electron density concentrated in identical lobes on either side of the nucleus.
 pz orbital has an angular node [ A( , )  0 ] along the xy plane; px orbital has an angular node
along the yz plane; py orbital has an angular node along the xz plane.
 The electron density contour map shows that there is no radial node for the 2p orbitals but 1 radial
node for the 3p orbitals. [see example 1]
Figure 2.7.2 Boundary surface diagram of p orbitals. The lightly shaded lobe has a positive
amplitude; the more darkly shaded lobe is negative (Figure taken from Shriver &
Atkins).
In two dimensions they are represented as:

z
z
z
+
-
y - + y y
+
x - x x
pz py px
d orbitals
 l = 2, ml = -2, -1, 0, +1, +2. There are five d orbitals.

 dxy, dyz, dxz, dx2-y2 have clover leaf shape and have 4 lobes of maximum electron
probability centered in the plane indicated in the orbital label. The four lobes are separated by two
nodal planes through the nucleus.
 dxy, and dx2-y2 are both centered in the xy plane while the lobes of dxy lie between
the axis.
 dz2 has two lobes along the z axis and a "belt" centered in the xy plane.
Figure 2.7.3 Boundary surface diagram of d orbitals. The lightly shaded lobe has a positive
amplitude; the more darkly shaded lobe is negative (Figure taken from Shriver & Atkins).
In two dimensions they are represented as:

y z
z
-
x - x y
dxz
dxy dyz
y
z
dx2-y2
dz2
The shaded lobe has a positive sign

Note the labelling of the axes
2.8 Nodal Surfaces and Electron Density Contour Plots of Atomic Orbitals
Figure 2.8. Electron density contour plots for selected atomic orbitals showing radial or
angular nodes (diagram taken from Miessler & Tarr).
Figure 2.9.1. Orbital energy level diagrams for a hydrogen atom and multielectron atoms
(diagram taken from McMurry & Fay).
2.9 Electronic Configuration
2.9.1 Energy Levels in Hydrogen and Other Atoms
1. For H, the energy of the electron only depends on n, principal quantum number. The
s, p, d, f orbitals have the same energy.
2. In the ground state, the electron in the H atom resides on the 1s orbital.
3. For other atoms with more than one electron, electron-electron repulsion and
shielding play a role,- so energy depends on angular momentum quantum number l
as well as the principal quantum number n. The energies of the atomic orbitals in
multielectron atoms are arranged in the order:
ns < np < nd < n f

4 This ordering can be explained by considering the ability of having electron density closest to the
positively charged nucleus in different atomic orbitals.
Figure 2.9.2 Plot of radial distribution functions, 4 p r2R(r)2, for 1s, 2s, 2p, 3s, 3p, 3d
orbitals versus radius r (diagram taken from Cotton, Wilkinson & Gaus).
The plot of radial distribution functions, 4 R(r ) , for 3s, 3p, 3d orbitals versus radius
2 2
5
(r) shows the first maximum for the s orbital is closest to the nucleus than the p or d orbitals, i.e.,
the s orbital has electron density closest to the nucleus. We say that electrons in an s orbital can
penetrate closer to the nucleus than an electron in a p, d, or f orbital can.
 Since orbitals with electron density closer to the nucleus are more stable, therefore,
for a given n, the energy of the orbital increases in the order: s < p < d < f.
 The effect is so pronounced for d and f electrons that they lie at higher energy than the
s or p of the (n + 1 ) shell in some cases. E.g., Energy level of 3d > 4s, 4d > 5s; 4f > 5s, 5p.
Figure. Relative energy level of various atomic orbitals in a multielectron atom (diagram from
Rayner-Canham). Please note for the value of ns and (n - 1) d orbitals, there are crossover points
(e.g., 4s < 3d; 5s < 4d; 5s, 5p < 4f), this becomes important when filling electrons in multi-
electron atoms.
2.9.2 Electronic Configurations
•Describe how electrons distribute themselves in various orbitals in an atom.
We will learn the rules used in writing electron configurations for the elements. The process is
based on the Aufbau principle (The German word Aufbau means „building up‟)
2.9.3 Aufbau Principle
 A set of rules guiding the filling order of orbitals.
1. Fill in electrons in the lowest energy orbital first.

2. Only two electrons with opposite spins per orbital (because Pauli exclusion
principle says that no two electrons in an atom can have the same four quantum
numbers).
3. If two or more degenerate orbitals (i.e. orbitals with the same energy) are
available, electrons go into each degenerate orbital with parallel spins until the
orbitals are half-fill (Hund's rule).
Aufbau is a German word derived from building meaning "building up, construction": The
Aufbau rule or building-up principle is used to determine the electron configuration of an atom,
molecule or ion. The principle postulates a hypothetical process in which an atom is "built up"
by progressively adding electrons. As they are added, they assume their most stable conditions
(electron orbitals) with respect to the nucleus and those electrons already there.
According to the principle, electrons fill orbitals starting at the lowest available (possible) energy
levels before filling higher levels (e.g. 1s before 2s). The number of electrons that can occupy
each orbital is limited by the Pauli‟s exclusion principle. If multiple orbitals of the same energy
are available, the Hund‟s that states that unoccupied orbitals will be filled before occupied
orbitals is applied-(by electrons having different spins).
A version of the Aufbau principle can also be used to predict the configuration of protons and
neutrons in an atomic nucleus.
2.9.4 Order of Orbital Filling in Poly-electronic Atoms:
Figure 2.9.3 The order in which atomic orbitals are filled in many electron atoms.
Start with the 1s orbital and move downward, following the direction of the arrows. Thus the
order goes as follows 1s→2s→2p→3s→3p→4s→3d→4p→5s→4d….
2.9.5 Filling of electrons for the first 30 elements
Filling of electrons for the first 30 elements
Atom Atom Electronic configuration

H H 1s1
He He 1s2
Li Li 1s22s1
Be Be 1s22s2
B B 1s22s22p1
C C 1s22s22p2
N N 1s22s22p3
O O 1s22s22p4
F F 1s22s22p5
He He 1s22s22p6
Na Na 1s22s22p63s1
Mg Mg 1s22s22p63s2
Al Al 1s22s22p63s23p1
Si Si 1s22s22p63s23p2
P P 1s22s22p63s23p3
S S 1s22s22p63s23p4
Cl Cl 1s22s22p63s23p5
Ar Ar 1s22s22p63s23p6
K K 1s22s22p63s23p64s1
Ca Ca 1s22s22p63s23p64s2
Sc Sc 1s22s22p63s23p64s23d1
Ti Ti 1s22s22p63s23p64s23d2
V V 1s22s22p63s23p64s23d3
Cr Cr 1s22s22p63s23p64s13d5
Mn Mn 1s22s22p63s23p64s23d5
Fe Fe 1s22s22p63s23p64s23d6
Co Co 1s22s22p63s23p64s23d7
Ni Ni 1s22s22p63s23p64s23d8
Cu Cu 1s22s22p63s23p64s13d10
Zn Zn 1s22s22p63s23p64s23d10
2.9.6 The Ground State Electron Configuration of the Elements*
Atomic Atom Electronic Atomic Atom Electronic Atomic Atom Electronic configuration
number configuration number configuration number
1 H 1s1 38 Sr [Kr]5s2 74 W [Xe]6s14f145d5
2 He 1s2 39 Y [Kr]5s24d1 75 Re [Xe]6s24f145d5
3 Li [He]2s1 40 Zr [Kr]5s24d2 76 Os [Xe]6s24f145d6
4 Be [He]2s2 41 Nb [Kr]5s24d3 77 Ir [Xe]6s24f145d7
5 B [He]2s22p1 42 Mo [Kr]5s14d5 78 Pt [Xe]6s14f145d9
6 C [He]2s22p2 43 Tc [Kr]5s24d5 79 Au [Xe]6s14f145d10
7 N [He]2s22p3 44 Ru [Kr]5s24d6 80 Hg [Xe]6s24f145d10
8 O [He]2s22p4 45 Pd [Kr]5s24d7 81 Tl [Xe]6s24f145d106p1
9 F [He]2s22p5 46 Ag [Kr]5s24d8 82 Pb [Xe]6s24f145d106p2
10 He 1s22s22p6 47 Ag [Kr]5s14d10 83 Bi [Xe]6s24f145d106p3
11 Na [Ne]3s1 48 Cd [Kr]5s24d10 84 Po [Xe]6s24f145d106p5
12 Mg [Ne]3s2 49 In [Kr]5s24d105p1 85 At [Xe]6s24f145d106p5
13 Al [Ne]3s23p1 50 Sn [Kr]5s24d105p2 86 Rn [Xe]6s24f145d106p6
14 Si [Ne]3s23p2 51 Sb [Kr]5s24d105p3 87 Fr [Rn]7s1
15 P [Ne]3s23p3 52 Te [Kr]5s24d105p4 88 Ra [Rn]7s2
16 S [Ne]3s23p4 53 I [Kr]5s24d105p5 89 Ac [Rn]7s26d1
17 Cl [Ne]3s23p5 54 Xe [Kr]5s24d105p6 90 Th [Rn]7s26d2
18 Ar [Ne]3s23p6 55 Cs [Xe]6s1 91 Pa [Rn]7s25f26d1
19 K [Ar]4s1 56 Ba [Xe]6s2 92 U [Rn]7s25f36d1
20 Ca [Ar]4s2 57 La [Xe]6s25d1 93 Np [Rn]7s25f46d1
21 Sc [Ar]4s23d1 58 Ce [Xe]6s24f15d1 94 Pu [Rn]7s25f6
22 Ti [Ar]4s23d2 59 Pr [Xe]6s24f3 95 Am [Rn]7s25f7
23 V [Ar]4s23d3 60 Nd [Xe]6s24f4 96 Cm [Rn]7s25f76d1
24 Cr [Ar]4s13d5 61 Pm [Xe]6s24f5 97 Bk [Rn]7s25f9
25 Mn [Ar]4s23d5 62 Sm [Xe]6s24f6 98 Cf [Rn]7s25f10
26 Fe [Ar]4s23d6 63 Eu [Xe]6s24f7 99 Es [Rn]7s25f11
27 Co [Ar]4s23d7 64 Gd [Xe]6s24f75d1 100 Fm [Rn]7s25f12
28 Ni [Ar]4s23d8 65 Tb [Xe]6s24f9 101 Md [Rn]7s25f13
29 Cu [Ar]4s13d10 66 Dy [Xe]6s24f10 102 No [Rn]7s25f14

30 Zn [Ar]4s23d10 67 Ho [Xe]6s24f11 103 Lr [Rn]7s25f146d1
31 Ga [Ar]4s23d104p1 68 Er [Xe]6s24f12 104 Unq [Rn]7s25f146d2
32 Ge [Ar]4s23d104p2 69 Tm [Xe]6s24f13 105 Unp [Rn]7s25f146d3
33 As [Ar]4s23d104p3 70 Yb [Xe]6s24f14 106 Unh [Rn]7s25f146d4
34 Se [Ar]4s23d104p4 71 Lu [Xe]6s24f145d1 107 Uns [Rn]7s25f146d5
35 Br [Ar]4s23d104p5 72 Hf [Xe]6s24f145d2 108 Uno [Rn]7s25f146d6
36 Kr [Ar]4s23d104p6 73 Ta [Xe]6s24f145d3 109 Une [Rn]7s25f146d7
37 Rb [Kr]5s1
*The symbol [He] is called the helium core and represents 1s2. [Ne] is called the neon core and
represents 1s2s2p6. [Ar] is called the argon core and represent [Ne]3s23p6. [Kr] is called the
krypton core and represents [Ar]4s23d104p6. [Xe] is called the xenon core and represents
[Kr]5s24d105p6. [Rn] is called the radon core and represents [Xe]6s24f145d106p6.
2 SUMMARY
1 Planks quantum theory state that energy is absorbed or emitted by atoms or molecules
in small discrete amounts (quanta), rather than over a continuous range. This is governed
by the equation E  hv
2 Light and matter have the characteristic of both particles(Dual nature of light and
matter)
3 The Schrödinger equation describes the motions and energies of subatomic particles
in terms of quantum theory. It tells us the possible energy states of the electron in an
atom or molecule and the probability of its location in a particular region surrounding the
nucleus.
4 An atomic orbital is a function that defines the distribution of electron density in
space. Orbitals are represented by electron density diagrams or boundary surface diagrams.
5 Four quantum numbers are needed to characterize completely each electron in an
atom:
 The principal quantum number n, which determines the main energy level, or shell of the
orbital;
 The angular momentum quantum number l, which determines the shape of the orbital;
 The magnetic quantum number, ml, which determines the orientation of the orbital in space;
 And the electron spin quantum number ms, which relates only to the electrons spins on its own
axis.
6 Using the Aufbau (Building-up) principle we can determine the ground-state electron
configurations of all elements based on atomic number.
Sample questions to help

(Question One = 30 marks)
a. Briefly explain the following terms (6 marks)
b. State Heisenberg uncertainty principle (2 marks)
c. Light from a discharge tube (bulb) produces a line rather than a continuous spectrum
i. Draw a well labeled diagram showing a set-up you would use to obtain a
hydrogen spectrum (clearly label all items in the set up) (4 marks)
ii. Briefly explain why atoms give line spectra that are characteristic (3 marks)
d. J. J. Thomson proposed the plum-puddin model of the atom. His assistant/student
designed the famous Rutherford scattering experiment that involved bombarding a thin
film of gold with fast moving (high energy) α-particles to test whether this model (plum-
puddin) was accurate
i. What was Rutherford expecting to happen when the α-particles interacted with the
thin film if the plum-puddin model was correct (2 marks)
ii. What key observation made from the above experiment led to Rutherford
disapproving the plum-puddin model (2 marks)
iii. Based on the observations that he (Rutherford) made from this experiment, what
atomic model did he adopt (2 marks)
e. A photon is emitted when an electron in a hydrogen atom makes a transition from energy
level n= 4 to n= 2. Calculate the energy (in joules), frequency (in Hz) and wavelength (in
nm) of the emitted photon. (6 marks)
f. An electron and a proton are both travelling at a speed of light. given that the mass of
proton = 1.6726219 × 10-27 kilograms and mass of an electron = 9.10938356 × 10-31
kilograms, which of them has a shorter de Broglie wavelength? Give reason for your
choice (3 marks)
Question Two (20 marks)
a. Elements X and Y have atomic number 29 and 50 respectively

i. Write the electronic configuration of X and Y (4 marks)
ii. Using the electronic configurations from i above, determine the groups and periods of
elements X and Y. Clearly show your reasoning (4 marks)
b. Based on the quantum atomic model, state the quantum number that determines the
spatial orientation, shape and energy of orbitals (3 marks)
c. Given that gold has a work function of 4.82 eV. A block of gold is illuminated with UV
radiation of 160 nm. Given that 1 ev = 1.602 × 10 −19 joules and 1 nm is 10 −9 m,
calculate the threshold frequency of electromagnetic radiation required to eject electrons
from a gold surface. (4 marks)
d. Arrange the following neutral atoms in order of increasing atomic sizes and clearly
30 70
explain your reasoning. 27
13 𝐴𝑙 , 18 𝐴𝑟 and 31 𝐺𝑎 (4 marks)
e. For each of the following nuclear reactions, state the type of radioactive decay or reaction
involved (3 marks)
e. Complete the nuclear reaction equation below by identifying values of x and y of nuclide
Nu (2 marks)
Question Three (20 marks)
a. Clearly explain the meaning of the following terminologies (4 marks)

a. Draw the Lewis structures of the molecule and ion provided in (i and ii) below and
clearly show your working (6 marks)
b. Use the Lewis structures you have drawn in a above to tabulate the following
i. Electronic geometry of SF4 and ICl4¯ (4 marks)
ii. Molecular geometry of SF4 and ICl4¯ (4 marks)
iii. Hybridization of central atom in SF4 and ICl4¯ (2 marks)

Lecture 1 and 2 - Sept 2019-1

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Lecture 1 and 2 - Sept 2019-1

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Structure of the atom

1.0 Structure of the Atom

1 Lecture 1 Objectives or Aims

At the end of this unit you should be able to;

i) Define the words, atom, element and molecule.

1.1 Classical View of Atomic Structure

Symbol of electron is e-1.

The protons has a charge of +1 electronic charge or +1.602189x10-19 C

Neutrons have no charge. They are electrically neutral

Atomic Mass Unit

The five main proposals in Dalton‟s Atomic Theory of matter were:

c) Describe the contributions of the following scientists to our knowledge of

kaon, muon etc

1.2 Historical Development of Atomic Theory

1.2.0 Dalton’s Atomic Theory

1. Elements are made of extremely small particles called atoms.

1.2.1 Thomson’s Plum Pudding or Raisin Bun Atomic Model (1856-1940)

Figure 1.1. Thomson‟s plum pudding or raisin bun atomic model

1.2.2 Rutherford’s Nuclear Model of Atom (1871-1937)

Figure 1.2 Angular Distribution of Rutherford scattering

Figure 1.3 Rutherford planetary or nuclear atomic model

From these observations, Rutherford concluded that

Limitations of the Rutherford’s atomic model.

Go to Bohr‟s model in section 1.2.5

1.2.3 The Nature of Electromagnetic Radiation

Figure 1.5 The Electromagnetic Spectrum

i) List the colours in the visible light

We will review some terminology used in wave.

Figure 1.4 Harmonic wave

The wave length and frequency are related by:

Common wavelength units for electromagnetic radiation

i) What is the frequency of red light whose frequency is 750 nm?

1.2.4 Plank’s Quantum Theory –Quantized Energy and Photons

The Photoelectric Effect

The photoelectric equation involves;

 h = the Plank constant 6.63 x 10-34 J s

Figure 1An assembly of Millikan’s experimental setup

Figure 2A plot of frequency against energy

Wo or ϕ = minimum energy required to dislodge the electron from the metal

1 For radiation having  = 2.0x10-7 m, calculate:

1.2.4 Hydrogen Spectrum

1. What colour of light is emitted by:

Bohr’s theory in Science

Expressing in terms of wave numbers, equation (1) is rearranged as

1.2.5 Bohr Model of Atom (1913)

where „c‟ is the speed of light in vacuum, R∞ is an experimentally-determined constant (the

Bohr model of an atom

Figure 1.8. Various series in hydrogen spectrum.

1.2.5.1 Failures of the Bohr Model

Some of the shortcomings of the models are:-

Electron Energy Levels

2 Lecture 2 Objectives or Aims

Atom Atomic number Electronic configuration

2.1.0 Quantum Model of an Atom-Start

2.2 De Broglie Equation- Dual Nature of Matter

2.2.1 Heisenberg Uncertainty Principle

According to Heisenberg's uncertainty principle, the product of uncertainties in position (Δx)

What is the meaning of "accurate up to 0.001%"?

uncertainty in velocity (Δv) = 300 x 0.001 / 100 = 3 x 10-3 m s-1

The uncertainty in position (Δx) can be calculated as follows:

Note: n = 4 for electron.

The correct option is "c".