CHE 221

Atomic Structure, Bonding and Main

Group Chemistry
(Atomic Structure and Bonding)
Dr. N. Makuve
72919513
[email protected]
Office 237/237
 Course Synopsis
• Atomic structure: hydrogen atom; the Schrodinger equation;
orbitals; electronic structure and atomic properties.

• Chemical bonding: molecular orbital theory for homo- and

hetero-nuclear diatomic and polyatomic molecules;
hybridization; ionic bonding; lattice energies and
intermolecular forces.
 Aims and Learning Objectives

• This course will enable students to gain an understanding of

the structure of the atom based on elementary quantum
theory.

• The knowledge gained will then be applied to bonding in

simple molecules based on molecular orbital and valence
bond theories.
 Learning Outcomes
1. Interpret the spectra of hydrogen and other one-electron species using
the Bohr Theory and wave mechanics.
2. Sketch radial and angular representations of atomic orbitals.
3. Use the Aufbau principle, the Pauli Exclusion Principle and Hund’s
Rule to discuss electron configurations of atomic and molecular
species.
4. Use Slater’s Rules to calculate effective nuclear charge.
5. Explain properties of elements and their compounds in terms of
position in the Periodic Table.
 Learning Outcomes

6. Construct MO energy-level diagrams and write electron

configurations and be able to extract chemical information from
them.
7. Predict the shapes of molecules by application of the valance
shell electron pair repulsion theory and correlate the outcomes
with the valence bond approach.
8. Describe shapes of molecules in terms of valence bond
theory (hybridization and resonance).
9. Describe the nature, electronic origin and physical effects of
the various intermolecular forces such as hydrogen bonding
 Recommended Textbooks
1. Concise Inorganic Chemistry, 5th Edition by JD Lee, 1996.
2. JE Huheey, EA Keiter and RL Keiter, Inorganic Chemistry- Principles of
structure and reactivity 4th edition 1997.
3. FA Cotton, G Wilkinson and PL Gaus, Basic Inorganic Chemistry.
4. BE Douglas, DH McDaniel and JJ Alexander, Concepts and models of
inorganic chemistry, 3rd edition 1994.
5. DF Shriver, PW Atkins and CH Langford, Inorganic Chemistry, 2nd
edition, 1994.
6. D Nicholls, Complex and first-row transition elements.
7. Butler and Harrod, Inorganic Chemistry: Principles and applications.
 Delivery modes

• Lectures
Lectures will be presented in English only. (BLDG 230 ROOM G5)

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 Assessment
• Assessment : C.A Quiz and Test (50 %) and Final Term Paper (50 %)
• Quiz 1 on the 15th February 2022 at 1800hrs-2100 hrs;
• Test 1 on the 1st March at 1800hrs-2100 hrs
• Mid-term paper on the 15th March at 1800hrs-2100 hrs
• Two groups

Venue: 247\140, 141, 142 & 259

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 Course layout
PART I: QUANTUM THEORY AND ELECTRONIC STRUCTURE OF
ATOMS

PART II: ELECTRONIC CONFIGURATION AND THE PERIODIC

TABLE

PART III: CHEMICAL BONDING (BASIC CONCEPTS, MOLECULAR

GEOMETRY AND BONDING THEORIES)
 PART I: QUANTUM THEORY AND ELECTRONIC
STRUCTURE OF ATOMS
1. Introduction
2. Nature of light
3. Quantum theory
4. Bohr’s theory of the hydrogen atom
5. Wave properties of matter
6. Quantum mechanics
7. Quantum numbers.
8. Atomic Orbitals
9. Electronic configuration
 Introduction
• All atoms consist of central nucleus surrounded by orbital electrons.
 Introduction…cont..
• Scientists discovered much of what we know about the
structure of the atom by observing the interaction of atoms
with various forms of radiant or transmitted energy.
• Examples of this energy are:
1. visible light we detect with our eyes,
2. infrared radiation we feel as heat,
3. x-rays that produce images of our teeth or bones.
Hence, the need to describe the properties of waves and the
various forms of electromagnetic radiation.
 Nature of Light
(Properties of waves, the electromagnetic spectrum)
• The classical electromagnetism of light by Maxwell depicts (illustrate)
light as a transverse wave composed of oscillating electric field and
magnetic field which are at right angle to each other and
perpendicular to the direction the wave move.
 Electromagnetic Wave
• Just like any other wave, electromagnetic field
1 m = 10-9 nm
 Task
1. Light that the human eye senses includes that of wavelength 556 nm. What
is the frequency of this light? What is the colour of this light? (yellow, 580nm
and green is 530 nm)

• Strategy: convert nm to m before substituting into the equation. Remember

c = 3.00 x 108 ms-1

2. Calculate the wavelength of light, in nm, of light with a frequency of 3.52 x

1014 s-1.
 Electromagnetic spectrum
• Different frequency will produce different kind of light ;

• Visible light of different wavelength produce different colour.

• According to the electromagnetic spectrum, as the frequency increases

so does the wavelength and type of radiation.

• All electromagnetic radiation moves at the speed of light (c).

 Quantum Theory

• Max Planck: Radiant energy could only be emitted or absorbed in discrete

quantities.

• Quantum: packets of energy ; (energy is quantized)

• Under some conditions light behaves like streams of massless particles (called
photons). Each of these particles has a frequency and a wavelength.
• The intensity of light is a measure of the number of photons per unit area.
 Task
1. A photon of blue light has a wavelength of 455 nm. What is the
energy of this photon?
• Strategy: Convert wavelength (λ) to frequency (ν) first before using
E = hν to calculate the energy of the photon.

2. What is the wavelength of a photon that has energy equal to 5.33 x

10-19 J?
 The Photoelectric Effect

Each photon has energy that is directly proportional to its frequency

Mathematically,
• Electron kinetic energy = photon energy – binding energy

• Ekinetic (electron) = hν – hνo , where νo is the minimum radiation

frequency required to dislodge an electron from the metal.
Bohr’s Theory of the Hydrogen Atom
Atomic line spectra
• An atomic emission spectrum is the pattern of lines formed
when light passes through a prism to separate it into the
different frequencies of light it contains.
• The “lines“ correspond to the frequencies absorbed by the gas sample,
hence the resulting pattern is an absorption spectrum.

• The emitted light is analyzed by passing it through a prism to give an

emission spectrum
• According to Bohr Theory, an electron will
transition from one energy level to another
when a photon of a very specific energy is
either absorbed or emitted by the electron.

• The energy of the photon will correspond to

the difference between the two energy levels.

• If electron in a hydrogen atom goes from the

n=3 to the n=2 level; a photon will be emitted
that is specific to that energy gap.
 The Energy States of Atoms
• The amount of energy lost or gained by an atom as it interacts with
light is the energy of the electromagnetic radiation absorbed or
emitted by the atom (hν).
• Since absorption of emission of radiation results in change of E of the
atom, then the change in energy of the atom is equal to the E of the
radiation absorbed or emitted.
• ie ΔE = Ef - Ei = hν
• where Ef is the final energy of the atom and Ei is the initial energy of
the atom.
• Note: The energy of the electron (atom) can only have certain discrete
values. These are referred to as energy levels between which and
electron can make transitions.
 Line spectra of Hydrogen
It was developed to calculate spectral lines in hydrogen.
Line spectra of Hydrogen
 Electron transition for hydrogen atom
• We group the transition according to the energy level they land on.
• The ones that lend on n=1 are called Lyman series; n=2 Balmer series
 Task
• Which of the following transitions in the emission spectrum of
hydrogen atom belong to Brackett series?
a) 5 1
b) 6 4
c) 3 1
d) 5 4
e) 7 4
NB: For Brackett series, the transition is from higher level to level 4.
 PART I: QUANTUM THEORY AND ELECTRONIC
STRUCTURE OF ATOMS
• Wave properties of matter

• Quantum mechanics

• Quantum numbers
 Facts about electron:
• Electron mass = 9.109 x 10-31 kg
• Electron Charge = 1.602 x 10-19C
• Has magnetic properties because it is a spinning charge
• Displays wave-particle duality. Which property is exhibited depends
on the experiment used to observe it.
• proton mass = 1.6726219 × 10-27 kilograms
Wave properties of matter
(de Broglie Hypothesis)
 Quantum mechanics
(The Uncertainty Principle, The Schrodinger Equation, Quantum Mechanical
Description of the Hydrogen Atom).
The Heisenberg Uncertainty Principle (HUP)
• Facts and logic:
• A particle occupies a particular location, but a wave extends over some region in
space
• Electrons have wave properties; therefore an electron must spread over space,
i.e. not located at one particular position
• The position of a moving electron can therefore not be precisely defined
• So, electrons are thought about as being delocalised because of their wave
properties
• An electron is therefore understood to be a particle-wave
HUP:
• The more accurately we know the position of a wave-particle, the
more uncertain we are about its momentum, and vice versa.
Schrodinger wave equation

• where;
• Ψ is wave function or the amplitude of the wave
• E= total energy of the electron
• V = the potential energy
• m= the mass of electron
• h = the Planck’s constant
The corresponding wave function describes the orbital , that is the volume in
space where there is a high probability of finding the electron.
Schrodinger Equation
• For our purposes, concern is with the
interpretation/application of the solutions to the SE
• The Schrodinger equation has solutions only for specific
energy values. Reason: E is quantized!
• For each quantized energy value, the SE generates a
wavefunction that describes how electrons are distributed in
space. A one-electron wavefunction is called an orbital
• Each quantized property is identified using a quantum
number.
 Quantization
• The electronic properties (such as mass, charge, spin and wave-
particle duality) apply to all electrons, e.g.;
• Free electrons in space
• Electrons moving in a conducting wire
• Electrons bound in atoms
• Bound electrons (those held in specific regions by electrostatic forces)
have additional properties relating to their E and shapes of their
waves.
• These additional properties can assume only certain specific values,
i.e. they are quantized
 Quantum numbers
• Quantum numbers specify the value of the electron’s quantized
properties.
• Specifically, these properties are energy (principal), orbital angular
momentum (azimuthal), orbital orientation ((magnetic) and the intrinsic
spin of the electron.
• Thus, is completely described by specifying each one of the four
quantum numbers.
Azimuthal (orbital angular momentum)
• n gives the total energy of the orbital in which the electron is found,
ie E of the electron!
• l gives the type (shape?) of orbital in which the electron exists
• ml the orientation in space, of the orbital in which the electron
exists (the total # of individual values of ml for a given l gives the
total number of the type of orbitals designated by l)
• ms is the direction of spin of the electron