Atomic Structure and Bonding

Mahfodzah Md Padzi
 Introduction

to describe the underlying physical concepts

related to the structure of matter.
the structure of atoms affects the types of bonds
that exist in different types of materials.
Materials scientists and
Introduction
engineers have developed a
set of instruments in order to Nanostructure
characterize the structure of
materials at various length Short/Long
range Microstructure
scales. We can examine and
describe the structure of
materials at five different
levels.
Atomic Materials Macrostructure
The features of the structure structure Properties
at each of these levels may
have distinct and profound
influences on a material’s
properties and
behavior.
 Atomic structure

Diamond: Thin films of diamond are used for

providing a wear-resistant edge in cutting
covalent bonds. relatively hard.
 Long-Range Order

Lead-zirconium-titanate or PZT: PZT-based

gas igniters
ultrasound generation, and vibration control.
 Short-Range Order

Optical fibers
Amorphous
exhibit only a short-
range order
 Nanostructure

Ferrofluid
liquid magnets
 Microstructure

Micrograph of
stainless steel
Grain size
finer grain size leads
to higher strength
 Macrostructure

Car body coating

Relatively thick coatings, such as paints on
automobiles and other applications
 The Structure of the Atom
atomic number (Z) = no of
proton
atomic mass (A) = sum of
the masses of protons and
neutrons
number of neutrons (N)
In one mole of a substance,
there are 6.022x1023
(Avogadro’s number) atoms
or molecules.
A = 1 amu/atom (or
molecule) = 1 g/mol
Exercise
 Exercise
• A 100 gram alloy of nickel and copper consists of 75 wt%
Cu and 25 wt% Ni. What are percentage of Cu and Ni
Atoms in this alloy?

Given: 75g Cu Atomic Weight 63.54

25g Ni Atomic Weight 58.69

• Number of gram moles of Cu =

• Number of gram moles of Ni =

• Atomic Percentage of Cu =

• Atomic Percentage of Ni =
 Exercise
An intermetallic compound has the chemical formula
NixAly, where x and y are simple integers, and consists of
42.04 wt% nickel and 57.96 wt% aluminum.What is the
simplest formula of this nickel aluminide?

No. of moles of Ni =
No. of moles of Al =
Mole fraction of Ni =
Mole fraction of Al =
Ele ctron Structure of Atoms:
Bohr’s Theory
• Electron rotates at definite energy levels.
• Energy is absorbed to move to higher energy level. Energy is
emitted during transition to lower level.
hc
Energy change due to transition = ΔE =
λ
Absorb Emit
Energy Energy h=Planks Constant
(Photon) (Photon) = 6.63 x 10-34 J.s
c= Speed of light
λ = Wavelength of light

Energy levels
 Electron States
• Electrons have wavelike and particulate properties.
– This means that electrons are in orbitals defined by a
probability.
– Each orbital at discrete energy level is determined by
quantum numbers.

Quantum Designation
n = principal (energy level-shell) K, L, M, N, O (1, 2, 3, etc.)
l = subsidiary (orbitals) s, p, d, f (0, 1, 2, 3,…, n-1)
ml = magnetic 1, 3, 5, 7 (-l to +l)
ms = spin ½, -½
 Electron Energy State
Electrons...
• have discrete energy states
• tend to occupy lowest available energy state.
4d
4p N-shell n = 4
3d
4s

Energy 3p M-shell n = 3
3s

2p L-shell n = 2
2s

1s K-shell n = 1
 Quantum Numbers of
Electrons of Atoms
Principal Quantum Subsidiary Quantum
Number (n) Number l
• Represents main energy • Represents sub energy
levels. levels (orbital).
• Range 1 to 7. • Range 0…n-1.
• Larger the ‘n’, higher the • Represented by letters
energy. s,p,d and f.
n=3
n=2
n=2 p Orbital
n=1 n=1 (l=1)

s orbital
(l=0)
Quantum Numbers of
Electrons of Atoms
 Ele ctron Structure of
Multielectron Atom
 Example :- Number of Electrons
Orbital letters

1s2 2s2 2p6 3s2

Principal Quantum Numbers

 For Iron, (Z=26), Electronic configuration is

1s2 2s2 2p6 3s2 3p6 3d6 4s2
Deviations from Expected
Electronic Structures
The Aufbau Principle is a graphical
device that predicts deviations from the
expected ordering of the energy levels.

For example, according to the Aufbau

Principle, the electronic structure of iron,
atomic number 26, is:

1s2 2s2 2p6 3s2 3p6 4s2 3d6

1s2 2s2 2p6 3s2 3p6 3d6 4s2

 Quantum-
Mechanical
Model and
Periodic Table

• Elements are
classified
according to
their ground
state electron
configuration.
Perio dic Tab le
 Atomic Radius
• Atomic size: half the distance between the nuclei of two adjacent atoms
(metallic radius) OR identical (covalent radius).
• Affected by principal quantum number and size of the nucleus.
 Electron Structure
• Most elements: Electron configuration not stable.
Element Atomic # 1 Electron configuration
Hydrogen 2 1s 1
Helium 1s 2 (stable)
Lithium 3 1s 2 2s 1
Beryllium 4 1s 2 2s 2
Boron 5 1s 2 2s 2 2p 1
6 1s 2 2s 2 2p 2
Carbon ...
...
Neon 1s 2 2s 2 2p 6
10 (stable)
Sodium 11 1s 2 2s 2 2p 6 3s 1
Magnesium 12 1s 2 2s 2 2p 6 3s 2
13 1s 2 2s 2 2p 6 3s 2 3p 1
Aluminum ...
...
Argon
... 18 1s 2 2s 2 2p 6 3s 2 3p 6 (stable)
... ...
Krypton 36 1s 2 2s 2 2p 6 3s 2 3p 6 3d 10 4s 2 4p 6 (stable)
 Valence
• number of electrons in an atom that participate in bonding or
chemical reactions.

• Usually, the valence is the number of electrons in the outer s and p

energy levels.

• related to the ability of the atom to enter into chemical combination

with other elements.

– example: C Mg : 1s2 2s2 2p6 3s2 valence = 2

(atomic number = 6)
Al : 1s2 2s2 2p6 3s2 3p1 valence = 3

1s2 2s2 2p2 Si : 1s2 2s2 2p6 3s2 3p2 valence = 4

valence electrons
Electron Structure
 Electronegativity
• If an atom has a valence of zero, the element is inert (non-reactive)
• Ranges from 0.7 to 4.0,
• Large values: tendency to acquire electrons.

Smaller electronegativity Larger electronegativity

 Metallic
Periodic table of the elements. Those elements that are inherently metallic
in nature are shown in color.

106-23=83

The shaded elements are inherently metallic and bases of the various
engineering alloys, from Fe, Al, Mg, Ti, Ni, Zn, Cu and etc.
 Ceramics
Periodic table with ceramic compounds indicated by a combination of one or more metallic
elements (in light color) with one or more nonmetallic elements (in dark color)

Nonmetallic ceramic forming elements

Metallic Elements

106-23=83
 Polymers
Periodic table with the elements associated with commercial polymers in color.

Polymers continued

Small number of elements (6 elements) are involved for the formation of commercial polymers and
most of polymers are simply compounds of hydrogen and carbon. Some other polymers contain
oxygen (e.g., acrylics), nitrogen (nylon), fluorine (fluoroplastics) and silicon (silicones).
 Semiconductor
Periodic table with the elemental semiconductors in dark color (Si, Ge, Sn) and those elements
that form semiconducting compounds in light color. The semiconducting compounds are
composed of pairs of elements from columns III and V (e.g., GaAs) or from columns II and VI
(e.g., CdS).