02 BMFG 1213 - Atomic Structure and Bonding PDF

BMFG 1213
ENGINEERING MATERIALS
Sem/Session : I/2016-2017
Week 2
Title : Atomic Structure & Bonding
CHAPTER 2 : ATOMIC STRUCTURE & BONDING
Outlines
2.1 Atomic Structure

2.2 Atomic bonding in solids
Ionic
Covalent
Metallic
Secondary
Learning Objectives
To describe the underlying physical

concepts related to structure of matter.
To examine the relationships between the
structure of atoms-bonds-properties of
engineering materials.

Abu Nuaym mentions in Al-Hilyah in the biography of Imam Malik who told a young boy from the Quraysh: "Learn
etiquette (adab) before you acquire knowledge."
the great imam as-Shafie, he went to his teacher Waki
complaining about the weakness of his memory,
he (Waki) told him (as-Shafie) abandon rebellion,
for knowledge is a light,
and the light of Allah is not bestowed upon a rebel,
the light of Allah, knowledge is light.
(knowledge is light by Talib al-habib)
COOPERATIVE LEARNING / PEER CENTERED EDUCATION ?
A student must take out some time to teach whatever he has learnt . By doing this whatever was learnt is further
embedded in the heart and mind.
There is great reward in this because we have been advised by the Prophet s.a.w in a Hadith reported in Sahih
Muslim "Whoever invites towards good, then for him is a reward equal to those who follow, but their reward is not
decreased in any way."
Through teaching, a person will be following the example and Sunnah of the Prophet. In a Hadith reported by Ibn
Majah the Prophet is reported to have said, "Indeed I have been sent as a teacher."

ATOMIC STRUCTURE
WHAT IS AN ATOM ?
1. The basic unit of an element that can undergo
chemical change.
2. Consists of three particles: protons, neurons and
electrons.
Mass (g)
Charge (C)
Proton
1.673 10-24
+ 1.602 10-19
Neutron
1.675 10-24
Electron
9.109 10-28
- 1.602 10-19
Figure 2.1: model of an atom

ATOMIC STRUCTURE
Periodic table of the elements

Atomic number, Z
Atomic weight, A
29
Cu
63.54
He
Li Be
Na Mg
Cl Ar
K Ca Sc
Se
Br Kr
Rb Sr
Te
Cs Ba
Po
Ne
Xe
At Rn
Fr Ra
6

ATOMIC STRUCTURE
Atomic number, Z
29
Cu
Atomic weight, A
63.54
The atomic number, (Z) is the number of protons in the nucleus of an

atom of an element. In neutral state, the atomic number is also equal
to the number of electrons in its charge clouds.
The atomic mass, (A) of an element is equal to the average number of
protons and neutrons in the atom.
The Avogadro number, (NA) of an element is the number of atoms or
molecules in a mole.
The atomic mass unit, (amu) of an element is the mass of an atom
expressed as 1/12 the mass of a carbon atom.
7
ATOMIC
MODELS
CLASSICAL
MECHANICS
QUANTUM
MECHANICS
All of the physical laws of nature that account for

the behavior of the normal world (including
Newtons Law of Motion)
Quantum mechanics is a set of scientific principles
describing the known behavior of energy and
matter that predominate at the atomic and
subatomic scales
electron structure
BOHRS
MODEL
WAVE MECHANICAL
MODEL
by Neils Bohr using
Modification made to
Rutherford postulate
model.
Bohrs atomic model by

De Broglie, Heisenberg
and Schrodinger.
electron position
electron energy
electron configuration
8

BOHRS ATOMIC MODEL
Atomic model according to Bohr:
Electrons orbiting an atom could only exist at certain energy levels (i.e. distances) from
the nucleus discrete orbitals
Energies of electrons are quantized: electrons can have only specific energy values.
Electron may change energy by making a quantum jump.

1. When atoms absorbed energy, the electrons become excited and jumped from low
energy levels (close to the nucleus) to high energy levels (farther out from nucleus)
2. Energy is emitted during the same transition from high energy levels to lower energy
levels.
Figure 2.2: Bohrs atomic model

(Callister 8th ed.)
Figure 2.3: Electron quantum jump

(library.thinkquest.orgz)

WAVE MECHANICAL ATOM MODEL
What De Broglies suggest:

Due to Bohrs model limitation on explaning
certain electron phenomena, Broglies suggested
that like light, electrons could act as both particles
and waves while orbiting the nucleus.
Waves produced by an electron confined in its
orbit sets up a standing wave like a guitar strings
sets up a standing wave when plucked.
Figure 2.4: De Broglies electron wave model
(clickandllearn.org)
issues on Broglies idea: if an electron traveled as

a wave, could you locate the precise position of the
electron within the wave?
10

WAVE MECHANICAL ATOM MODEL
Heisenberg says on his Uncertainty Principles:
We can never know both the momentum and

position of an electron in an atom.
We shouldnt view electrons as moving in welldefined orbits about the nucleus.
Schrodinger modification on Bohrs Model:
Derived a wave function equation for electrons
We could only describe the probability of where
the electron could be .
The distributions of the probabilities formed
regions of space about the nucleus called orbitals.
Orbitals = electron density cloud where densest

cloud area has the greatest probability of finding
electron.
Figure 2.5: Comparison of (a) Bohr and (b) Wave
mechanical model (callister 8th ed.)
11

QUANTUM NUMBERS
Each orbit in the atomic model is associated with a definite energy and therefore called
as energy shell or energy level.
Using wave mechanics, electron is characterized by four (4) parameters called
quantum numbers.
Each orbital at discrete energy levels separate into electron subshells & quantum
numbers dictate the number of state within each subshell.
Orbital/subshell
Energy level
n=1
orbital
s orbital
(l=0)
s orbital
(l=0)
n=2
p orbital
(l=1)
n=3
n=1
Figure 2.6: Energy level and subshell
Energy level/shell
n=2
12

QUANTUM NUMBERS
1. Principal quantum number, n
Related to the size of the shell, (i.e n=1 is the smallest)
It has positive integer values of 1,2,3. (n).
As n increase, orbital become larger means electrons has higher energy and less
tightly bound to the nucleus.
Figure 2.7: Principal quantum number
13

QUANTUM NUMBERS
2. Orbital quantum numbers,
The value of is always (n-1) . Where n is the number of principle shell.

The second quantum numbers signifies the subshell, which is denoted by lower case
an s,p,d or f.
These subshell is related to the shape of the electron subshell.

The maximum number of electrons in subshell = 2(2+1)
(a) spherical
(b) polar
(c) cloverleaf (l = 2)
Figure 2.8: Shape of different orbital in the subshells
14

QUANTUM NUMBERS
The allowable subshell and the number of electrons within each subshell is given by table
below.
15

QUANTUM NUMBERS
3. Magnetic quantum number, m
The number of energy states for each subshell is determined by magnetic quantum
number, m.
eV
Electron energy
level
-1.5
Energy
For an s subshell, there is a single state. Why? Because there is only one way in which
a sphere (l = 0) can be oriented in space.
4d
4p
3d
4s
3p
3s
N-shell n = 4
M-shell n = 3
-3.4
2p
2s
L-shell n = 2
-13.6
1s
K-shell n = 1
Orbital/
subshell
State
Energy
level/shell
16
16

QUANTUM NUMBERS
Orbitals that have polar (l = 1) or cloverleaf (l = 2)
shapes, however, can point in different directions.For p
and d subshells, the number of energy state is 3 and 5
respectively.
There are three orbitals in the 2p subshell because
there are three directions in which a p orbital can
point.
(a)
These orbitals are therefore known as the 2px, 2py,

and 2pz orbitals.
There is one orbital in the 3s subshell and three
orbitals in the 3p subshell.
The n = 3 shell, however, also includes 3d orbitals.
(b)
The five different orientations of orbitals in the

3d subshell are shown in the Figure 2.9(b)
Figure 2.9: (a) p orbital orientation (b) d orbital

17
orientation

QUANTUM NUMBERS
4. Spin quantum number, ms
Specifies the value for the spin moment of the electron, which must be oriented up
or down.
The two values possible are (+ ) and (- ) for each of the spin orientations.
Pauli exclusion Principle : each electron state can hold no more than two electrons,
which must have opposite spins.
18

ELECTRON CONFIGURATION
example:
Fe (Z = 26)
electron configuration is
1 s
# of electrons
4d
4p
n=4
3d
Energy
Orbital
letters or
subshell
Lowest energy state

(ground state)
Principal
Quantum
Numbers
Highest energy
state
1s2 2s2 2p6 3s2 3p6 3d 6 4s2
4s
3p
3s
n=3
2p
2s
n=2
1s
n=1
19
19

ELECTRON CONFIGURATION
Method of arrangement:
5s
5p
5d
5f
4s
4p
4d
4f
3s
3p
3d
2s
1s
2p
20
END OF
PART 1
21

ELECTRON VALENCE
Most elements: electron configuration not stable.
Why?
Valence (outer) shell usually not filled completely.
example: Carbon C
atomic number, Z = 6
1s2 2s2 2p2

valence electrons
Electron that occupy the outermost (valence) shell.

Valence electrons those in unfilled shells (most elements) are not stable & filled
shells (inert gases) more stable.
Participate in the bonding (unfilled shell) between atoms to form atomic & molecular
aggregates determine physical (optical, thermal & electrical) & chemical properties
22

TYPES OF BONDING
A. PRIMARY BONDING
1. Ionic bonding : strong Coulomb interaction among negative atoms (have an extra
electron each) and positive atoms (lost an electron)
2. Covalent bonding: electrons shared between the molecules, to saturate the valency.
3. Metallic bonding: the atoms are ionized, losing some electrons from the valence
band. Those electrons form an electron sea, which binds the charged nuclei in place.
B. SECONDARY BONDING OR VAN DER WAALS BONDING
1. Fluctuating induced dipole
2. Polar induced dipole
3. Permanent dipole
23

IONIC BONDING
An ionic bonding is an electrical attraction between two oppositely charges atoms
or group of atoms.
Found in compound composed both metallic and non-metallic elements.
Normally atoms are neutral BUT to gain stability they have to either:
1.losing one or more valence electrons
positively charged ions (cation)
2.gain one or more valence electrons
negatively charged ions (anion)
Due to its electronegativity;
1.Metallic elements tend to lose electrons (highly electropositive)
2.Non-metallic elements tend to gain electrons (highly electronegative)
The resulting charged will attract each other to form ionic bonding .
Ionic bonding is termed as nondirectional: magnitude of the bond is equal in all
directions around an ion.
24

IONIC BONDING
25

IONIC BONDING
26

IONIC BONDING
27

IONIC BONDING
Primary considerations in ionic bonding:
1.
Ionization energy, E+
Energy required to remove an electron from a neutral atom
Alkali metal minimum E+ because of single valence electron
For example; Sodium (Na) requires 496 kJ/mol or 5.14 eV/atom to ionize it to Na+
2.
Electron affinity, EEnergy change when a neutral atom attracts an electron to become a negative ion
For example; Chlorine (Cl) release energy of 349 kJ/mol or 3.6 eV/atom
Therefore electron affinity for Cl- is -3.6eV/atom with regards to neutral free
atom
Large number for energy released indicates stable negative ion
3.
Electronegativity
The ability of an atom in a molecule to draw bonding electron to itself
Higher electronegativity, higher potential to receive electron
Na = 0.9 electropositive but for Cl = 3.0 electronegative
28

IONIC BONDING
4. Electric potential energy or Coulomb attraction of ions
potential energy is the energy stored in a body or in a system due to its position in a
force field or due to its configuration
5.
Pauli repulsion energy

The repulsive force which limits the closeness of approach of the ions
29

IONIC BONDING
sodium one valence e- , 5.14 eV to remove it.
chlorine need one e-, releases 3.62 eV to accept it
1.52 eV to donate one of the Na electrons to Cl when
they are far apart)
When resultant ions are brought closer together,
their electric potential energy becomes more and more
negative, reaching -1.52 eV at about 0.94 nm
separation.
If neutrally sodium and chlorine atoms are closer than
0.94 nm, it would be energetically favorable to transfer
an electron from Na to Cl and form the ionic bond.
The potential energy curve shows that there is a

minimum separation at 0.236 nm and then a steep rise
in potential which represents a repulsive force
30

IONIC BONDING
GENERAL PROPERTIES OF IONIC COMPOUND.

Strong electrostatic attraction means high melting and evaporation points.
But usually hard and brittle solid at room temperature.

It does not conduct electricity except for in molten state or when dissolve in water.
Ionic compounds are mostly water soluble.
31

COVALENT BONDING
Stable configuration are assumed by two or more elements sharing their electrons.
It occurs because the atoms in the compound have similar tendency to gain electrons.
Commonly occurs when two non metals bond together; for e.g. non-metallic molecules
such as Cl2,H2, F2, etc. or molecules containing dissimilar atoms like CH4, HNO3, H2O etc.
Covalent molecules tend to exists as liquids or gases at room temperature.
There are two subtypes of covalent bonds:

1. Polar bond; formed when electrons are unequally shared between two atoms
2. Non-polar bond; formed when they are equal attraction for electrons (equally share)
Multiple Bonds:
1. Each pair of electrons shared between two atoms, a single covalent bond is formed.
2. Some atoms can share multiple pairs of electrons, forming multiple covalent bonds.
(double bond, triple bond)
Covalent bond is directional: between specific atoms in the direction between 1 atom
32
and another that participates in the electron sharing.

COVALENT BONDING- single bond ; polar
2.1
3.0
This pair of atoms has a large difference in electronegativities.
Electrons will spend almost all their time around the Chlorine atom (but not strong
enough to pull electron to form ions) and virtually no time around the Hydrogen atom.
33

COVALENT BONDING- single bond ; polar
Chlorine has a slight negative charge and Hydrogen carries a slight positive
charge
34

COVALENT BONDING- single bond ; non-polar
3.0
3.0
Chlorine molecules as Non-polar bonding:

The values written beside the atoms are from electronegativities table. The difference is
calculated which in this case is zero.
35

This means that neither atom claims more share of the pair of electrons, so they spend equal
time around each.
36

Electronegativity for H and

C is 2.1 and 2.5 respectively
37

38

39

Why methane is also considered as non-polar?

A molecule may be non-polar either because there
is (almost) no polarity in the bonds or because of
the symmetrical arrangement of polar bonds.
In the methane molecule (CH4) the four CH bonds
are arranged tetrahedrally around the carbon atom.
Each bond has polarity (though not very strong).
However, the bonds are arranged symmetrically so
there is no overall dipole in the molecule because
they cancel themselves out. Just like pulling the
rope in opposite directions..
Representation of a methane
molecule, with the blue sphere
signifying carbon and the four red
spheres signifying hydrogen
40

COVALENT BONDING
GENERAL PROPERTIES OF COVALENT COMPOUND
For covalent solids (formed by a system of continuous covalent bond):

1. Non-conductive in solid and molten state.
2. Very high melting point and non volatile
3. Hard and incompressible

4. Insoluble
diamond
5. Example: diamond, boron nitride, quartz (SiO2), Silicon carbide (SiC)

For substances with covalent bonding:
1. Low melting and boiling point
2. Soft in the solid state

3. Solubility depends on the polarity of the molecules
4. Example: graphite, polymer
graphite
41

IONIC & COVALENT BONDING
PERCENT IONIC CHARACTER
Ionic-Covalent Mixed Bonding

% ionic character =
where
(X XB)
A
4
1 e
x (100 %)
XA = electronegativity value for element A

XB = electronegativity value for element B
42

METALLIC BONDING
Final primary bonding type, found in metals and their alloys.
Valence electrons in metals are not bound to any particular atom in the solid drift
through out the entire metal (electron sea).
Remaining electrons and the atomic nuclei form the ion core net positive charge.
The free electron act as glue to hold the ion cores together.
Metals are good conductor as a consequence of their free electrons.
2003 Brooks/Cole Publishing / Thomson Learning
2003 Brooks/Cole Publishing / Thomson Learning
The metallic bond forms when atoms give up their

valence electrons, which then form an electron sea.
The positively charged atom cores are bonded by
mutual attraction to the negatively charged electrons
When voltage is applied to a metal, the

electrons in the electron sea can easily move
and carry a current
43

METALLIC BONDING
GENERAL PROPERTIES FOR METALS:

High melting and boiling points
Good ductility and workability
insoluble in all solvents
very good conductor
44

SECONDARY BONDING
PERMANENT DIPOLE BONDS:
1. Polar molecule induced dipole bonds.

Exist in some molecules due to its asymmetrical arrangement of positively and
negatively charged regions.
Made of atoms with different electronegativity that are united by covalent bonding.
It cause the molecules to attract to each other and can also induced dipoles in
adjacent non polar molecules
Example: HCL
Hydrogen
secondary
bonding
Chlorine
45

SECONDARY BONDING
PERMANENT DIPOLE BONDS:
2. Hydrogen Bonding
Exist between adjacent polar molecules.
Considered as the strongest among secondary bonds.

It occurs between molecules in which hydrogen is covalently bonded to F, O or N
Example: HF, H2O, NH3
2003 Brooks/Cole Publishing

/ Thomson Learning
46

SECONDARY BONDING
TEMPORARY FLUCTUATING DIPOLE
Arises from interaction between dipoles.

Very weak electric dipole bonds due to asymmetric distribution of electron
densities.
general case:
example: liquid H2
asymmetric electron
clouds
secondary
bonding
H2
H2
H H
H H
secondary
bonding
47
END OF
PART 2
48

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BMFG 1213

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

2.1 Atomic Structure

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

To describe the underlying physical

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

Figure 2.1: model of an atom

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

Periodic table of the elements

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

The atomic number, (Z) is the number of protons in the nucleus of an

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

All of the physical laws of nature that account for

by Neils Bohr using

Bohrs atomic model by

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

Electron may change energy by making a quantum jump.

Figure 2.2: Bohrs atomic model

Figure 2.3: Electron quantum jump

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

What De Broglies suggest:

issues on Broglies idea: if an electron traveled as

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

We can never know both the momentum and

Orbitals = electron density cloud where densest

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

Related to the size of the shell, (i.e n=1 is the smallest)

It has positive integer values of 1,2,3. (n).

Figure 2.7: Principal quantum number

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

The value of is always (n-1) . Where n is the number of principle shell.

These subshell is related to the shape of the electron subshell.

Figure 2.8: Shape of different orbital in the subshells

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

These orbitals are therefore known as the 2px, 2py,

The five different orientations of orbitals in the

Figure 2.9: (a) p orbital orientation (b) d orbital

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

Lowest energy state

1s2 2s2 2p6 3s2 3p6 3d 6 4s2

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

1s2 2s2 2p2

Electron that occupy the outermost (valence) shell.

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

Pauli repulsion energy

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

The potential energy curve shows that there is a

CHAPTER 2 : ATOMIC STRUCTURE & BONDING

GENERAL PROPERTIES OF IONIC COMPOUND.

But usually hard and brittle solid at room temperature.

CHAPTER 2 : ATOMIC STRUCTURE & BONDING