Bonding 2

ISSUES TO ADDRESS...
Understanding interatomic bonding in

solids properties of materials
C Carbon, graphite
Atomic structure
Electron configurations in atoms,
periodic table
Types of primary and secondary bonding
MME 2501 - Engineering Materials 2
atom electrons 9.11 x 10
-31
kg
protons
neutrons
Chemical element is characterized by the # of protons in nucleus of atom, Z =
atomic number, neutral species: electrons = protons
Atomic mass, A = p + n (within the nucleus)
# protons can be same for all atoms, neutron can be variable
Isotopes some elements have 2 or > different atomic masses
Atomic weight = weight average of atomic masses of atoms naturally occurring
isotopes
Computation of atomic weight, atomic mass unit = amu = 1/12 of atomic mass of
12
C, A = 12.0000
In a mole of a substance there are 6.023 x 10
23
(N
A
) molecules or atoms
1 amu/atom (or molecule) = 1g/mol
C 12.011
H 1.008 etc.
3
} 1.67 x 10
-27
kg
Fe=55.85 amu/atom
Or 55.85 g/mol
Cannot explain many phenomena involving electron,
in solids using classical mechanics
Establishment of a set of principles & laws that govern
systems of atomic & subatomic entities known as
quantum mechanics understanding of the behaviour
of electrons in atoms and crystalline solids
1
st
model: Bohr atomic model, limitations
Electrons are assume to revolve around the atomic
nucleus in discrete orbital
Electrons in atoms, position (orbital), energy
(quantized)
Energy of electron is quantized, specific value of
energy
Electrons exhibit wave-like & particulate-like
characteristics
Wave: n, p, EM, radio
Particulate: alpha (), beta (), X-ray
Electron is no longer treated as a particle moving in
discrete orbital
Position is described by a probability distribution or
the electron cloud
Energy of the photon emitted:
E = 2
2
me
4
n
2
h
2
= -13.6 eV
n
2
1eV
=
1.6 x 10
-19
J
The frequency of the photon is:
E = h
The wavelength of the photon is:
E = hc
6
n, is principal quantum number
h, is Plancks constant = 6.63 x 10
-34
Js
c, is velocity of light = 3.00 x 10
8
m/s
(1)
(2)
(3)
Valence electron occupy the outermost shell
Participate in the bonding between atoms, atomic or
molecular aggregates
Stable electron configurations outermost
completely filled
Valence electrons determine all of the following
properties
1) Chemical
2) Physical
3) Electrical
4) Thermal
7
Find out
more on
Bohr atomic
model
Electrons have wavelike and particulate
properties.
This means that electrons are in orbitals defined
by a probability.
Each orbital at discrete energy level 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)
m
l
= magnetic 1, 3, 5, 7 (-l to +l)
m
s
= spin , -
MME 2501 - Engineering Materials
8
9
Quantum Numbers
Every electron is described by 4 parameters known as quantum
numbers, size, shape, spatial orientation
This allows Bohr energy levels to be separated into electron
subshells, described by quantum numbers.
10
1s
2s
2p
K-shell n = 1
L-shell n = 2
3s
3p
M-shell n = 3
3d
4s
4p
4d
Energy
N-shell n = 4
have discrete energy states
tend to occupy lowest available energy state.
Electrons...
Aufbau
principle
11
Why? Valence (outer) shell usually not filled completely.
Most elements: Electron configuration not stable.
Electron configuration
(stable)
...
...
1s
2
2s
2
2p
6
3s
2
3p
6
(stable)
...
1s
2
2s
2
2p
6
3s
2
3p
6
3d
10
4s
2
4p
6
(stable)
Atomic #
18
...
36
Element
1s
1
1 Hydrogen
1s
2
2 Helium
1s
2
2s
1
3 Lithium
1s
2
2s
2
4 Beryllium
1s
2
2s
2
2p
1
5 Boron
1s
2
2s
2
2p
2
6 Carbon
...
1s
2
2s
2
2p
6
(stable) 10 Neon
1s
2
2s
2
2p
6
3s
1
11 Sodium
1s
2
2s
2
2p
6
3s
2
12 Magnesium
1s
2
2s
2
2p
6
3s
2
3p
1
13 Aluminum
...
Argon
...
Krypton
12
Schematic representation of the
relative energies of the electrons for
the various shells and subshells.
The order of occupancy of quantum
states affects the location of
elements in Periodic Table,
physical, and mechanical
properties, & bond mechanisms.
Pauli Exclusion Principle: Each
electron state cannot hold more
than two electrons with opposite
spins
Energy Level Diagram
Valence electrons those in unfilled
shells
Filled shells more stable
Valence electrons are most available for
bonding and tend to control the
chemical properties
example: C (atomic number = 6)
1s
2
2s
2
2p
2
13
valence electrons
ex: Fe - atomic #
=
14
26
valence
electrons
1s
2s
2p
K-shell n = 1
L-shell n = 2
3s
3p
M-shell n = 3
3d
4s
4p
4d
Energy
N-shell n = 4
1s
2
2s
2
2p
6
3s
2
3p
6
3d
6
4s
2
Fe
3+
S
2-
They represent the ability of an element to
enter into chemical combination with
others.
Valence e
s
participate in the bonding

between atoms.
Valence = # of electrons in outermost
combined sp level.
Examples of the valence are:
Mg: 1s
2
2s
2
2p
6
3s
2
valence = 2
Al: 1s
2
2s
2
2p
6
3s
2
3p
1
valence = 3
Ge: 1s
2
2s
2
2p
6
3s
2
3p
6
3d
10
4s
2
4p
2
valence = 4
15
16
Columns: Similar Valence Structure
Electropositive elements:
Readily give up electrons
to become + ions.
Electronegative elements:
Readily acquire electrons
to become - ions.
g
i
v
e

u
p

1
e
g
i
v
e

u
p

2
e
g
i
v
e

u
p

3
e
i
n
e
r
t

g
a
s
e
s
a
c
c
e
p
t

1
e
a
c
c
e
p
t

2
e
O
Se
Te
Po At
I
Br
He
Ne
Ar
Kr
Xe
Rn
F
Cl S
Li Be
H
Na Mg
Ba Cs
Ra Fr
Ca K Sc
Sr Rb Y
17
Ranges from 0.7 to 4.0,
Smaller electronegativity Larger electronegativity
Large values: tendency to acquire electrons.
18
Give up valence electrons Readily accept electrons
Metals
Have few electrons
in outer shells, usually
three or less
Form cations by
losing electrons
Have low
electronegativities
Nonmetals
Have four or more
electrons in outer
shells
Form anions by
gaining electrons
Have high
electronegativities
19
donates accepts
electrons electrons
Dissimilar electronegativities
ex: MgO Mg 1s
2
2s
2
2p
6
3s
2
O 1s
2
2s
2
2p
4
[Ne] 3s
2
20
Mg
2+
1s
2
2s
2
2p
6
O
2-
1s
2
2s
2
2p
6
[Ne] [Ne]
21
Occurs between + and - ions.
Requires electron transfer.
Large difference in electronegativity required.
Example: NaCl
Na (metal)
unstable
Cl (nonmetal)
unstable
electron
+
-
Coulombic
Attraction
Na (cation)
stable
Cl (anion)
stable
Non-directional, attract any adjacent ve ion equally in all directions
(magnitude of the bond is equal in all directions around ion)
23
Predominant bonding
in Ceramics
Give up electrons Acquire electrons
NaCl
MgO
CaF
2
CsCl
24
C: has 4 valence e
-
,
needs 4 more
H: has 1 valence e
-
,
needs 1 more
Electronegativities
are comparable.
similar electronegativity share electrons
bonds determined by valence s & p orbitals
dominate bonding
Example: CH
4
shared electrons
from carbon atom
shared electrons
from hydrogen
atoms
H
H
H
H
C
CH
4
Electron sharing, non-directional
Valence electron is delocalized electron
Equal probability of being associated with
any adjacent atom
In metals, delocalization is associated with
entire material, leading to an electron cloud,
electron gas, sea of valence electron or free
electron hold ion cores together
Mobile gas is the basis of high electrical
conductivity in metals, ductile failure etc
25
Metallic Bond -- delocalized as electron cloud
Ionic-Covalent Mixed Bonding
% ionic character =
where X
A
& X
B
are Pauling electronegativities
26
%) 100 ( x

1e

(X
A
X
B
)
2
4
|
\

|
.
|
|
|
ionic 70.2% (100%) x e 1 character ionic %
4
) 3 . 1 5 . 3 (

2
=
|
|
|
.
|
\
|
=

Ex: MgO X
Mg
= 1.3
X
O
= 3.5
(4)
27
Arises from interaction between dipoles
Permanent dipoles-molecule induced, bonding of polar, covalently bonded molecules
Fluctuating dipoles due to asymmetrical distribution of e- charge within atoms, VdW
-general case:
-ex: liquid HCl
-ex: polymer
asymmetric electron
clouds
+ - + -
secondary
bonding
H H H H
H
2
H
2
secondary
bonding
ex: liquid H
2
H Cl H Cl
secondary
bonding
secondary
bonding
+ - + -
secondary bonding
Liquefaction,
solidification
28
Type
Ionic
Covalent
Metallic
Secondary
Bond Energy
Large!
Variable
large-Diamond
small-Bismuth
Variable
large-Tungsten
small-Mercury
smallest
Comments
Nondirectional (ceramics)
Directional
(semiconductors, ceramics
polymer chains)
Nondirectional (metals)
Directional
inter-chain (polymer)
inter-molecular
29
Ceramics
(Ionic & covalent bonding):
Metals
(Metallic bonding):
Polymers
(Covalent & Secondary):
Large bond energy
large T
m
large E
small o
Variable bond energy
moderate T
m
moderate E
moderate o
Directional Properties
Secondary bonding dominates
small T
m
small E
large o
Discuss why.
1) Iceberg float?
2) Antifreeze to an automobile
cooling system?
3) Ruptured of watering can
along a side-panel bottom
panel seam?
1. Explain Pauli exclusion principle.
2. State GROUP for the following elements,
and provide your reason:
i. 1s
2
2s
2
2p
6
3s
2
3p
5
ii. 1s
2
2s
2
2p
6
3s
2
3p
6
3d
7
4s
2
iii. 1s
2
2s
2
2p
6
3s
2
3. Describe interatomic bonding in NaCl.

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ISSUES TO ADDRESS...

Understanding interatomic bonding in

participate in the bonding

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