Lecture 2

Atomic Structure and Bonding

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 Learning objectives

† Understand basic structures of atoms

† Understand basic bonding types of matter and their role
in forming different types of materials
† Able to estimate the bonding types from the position of
constituent elements in periodical table
† Gain basic knowledge on the relation between bonding
types and corresponding materials properties
(mechanical, electrical, thermal).

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 macroscopic

subatomic

microscopic atomic
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 Structure of Atoms

ATOM
Basic Unit of an Element
Diameter: 10–10 m.
Neutrally Charged

Nucleus Electron Cloud

Positive Charge Negative Charge

Proton Neutron
Positive Charge Neutral Charge

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The atomic number of an atom indicates
the number of protons (positively charged
particles) in nucleus. It equals to the
number of electrons in a neutral atom. The
atomic number identifies the element.

Atomic mass of an element is the mass in grams

of 6.023×1023 atoms (Avogadro’s number NA) of
that element.

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Example:

1. What is the mass in grams of one Cu atom?

2. How many atoms are in 1 g of Cu?

Solution:

1. The atomic mass of Cu is 63.55 g/mol. Thus, the

mass of one Cu atom is
63.55 g / mol
x= = 1.055 × 10 − 22 g / atom
6.023 × 10 23 atoms / mol

2. The number of atoms in 1 g of Cu is

6.023 × 10 23 atoms / mol

x= = 9.48 × 10 21 atoms!
63.55 g / mol

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Electron Configuration lists the arrangement of electrons in orbitals.

Maximum number of electrons in each atomic shell is given by 2n2.

Atomic size (radius) increases with

addition of shells.

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 Valence e-

Valence e-

The atomic structure of sodium, atomic number 11, showing the

electrons in the K, L, and M quantum shells and filled energy states

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 Electron Structure of Multi-electron Atom

Example: Fe, (Z=26), Electron configuration is

Principal Quantum Orbital letters Number of Electrons

Numbers

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

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 Electron Structure and Chemical Activity

Electropositive elements give electrons during chemical

reactions to form cations.
cations

Cations are indicated by positive oxidation numbers.

For example:
positive
oxidation
number
Fe2+, Fe3+

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 Electron Structure and Chemical Activity (Cont..)

Electronegative elements accept electrons during chemical reaction

to form anions.
anions Anions are indicated by negative oxidation numbers.

For example:
negative
oxidation
number
O2-, Cl-

Some elements behave as both electronegative and electropositive.

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Oxidation numbers of the elements

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 Electron Structure and Chemical Activity (Cont..)

† Electronegativity is the degree to which the atom attracts

electrons to itself
Measured on a scale of 0 to 4.1
Example: Electronegativity of Fluorine is 4.1
Electronegativity of Sodium is 1.

Na Te N O Fl
Electro- Electro-
positive negative
0 K 1 W 2H Se 3 4

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 Electronegativities of elements
Atomic bond between different elements is related to
their electronegativities!

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 (Review)

FN = FA + FR

r0
(a) The dependence of
repulsive, attractive, and
net forces on interatomic
separation for two
isolated atoms. r
EN = ∫
∞
F N dr
(b) The dependence of
repulsive, attractive, and
net potential energies on
interatomic separation
for two isolated atoms.
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The equilibrium distance between atoms is caused by a
balance between repulsive and attractive forces.
Equilibrium separation occurs when no net force acts to
either attract or separate the atoms or the total energy
of the pair of atoms is at a minimum.
for a solid metal the interatomic spacing is equal to the
atomic diameter or 2r.
for ionically bonded materials, the spacing is the sum of
the two different ionic radii.

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 Atomic and Molecular Bonds

Primary bonds

† Metallic bonds: Non-directional bonds formed by sharing

of free electrons
† Ionic bonds: Strong atomic bonds due to transfer of
electrons
† Covalent bonds: Large interactive force due to sharing of
electrons

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 Metallic Bonding
† Atoms in metals are closely packed in crystal structure.
† 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
Positive Ion
† These free electrons are
reason for electric
conductivity and ductility
† Since outer electrons are
shared by many atoms,
metallic bonds are
Non-directional
Valence electron cloud

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 Ionic Bonding
† An ionic bond is created between two unlike atoms with different
electronegativities.
† It can form between metallic and nonmetallic elements.
† Electrons are transferred from electropositive to electronegative atoms
† Ionic bonding is due to electrostatic force between cations and
anions that holds the ions together.
Electropositive Electron Electronegative
Element Transfer Atom

Electrostatic
Cation Attraction Anion
+ve charge -ve charge

IONIC BOND

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 Ionic Bonding - Example

Ionic bonding in NaCl

3s1
3p6

Sodium Atom Chlorine Atom

Na (Z=11) Cl (Z=17)

1s22s22p63s1 I 1s22s22p63s23p5
O
N
I
C
Sodium Ion Chlorine Ion
Na+ B Cl−
O
1s22s22p6 N 1s22s22p63s23p6
D

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When sodium donates its valence electron to chlorine, each
becomes an ion; attraction occurs, and the ionic bond is formed

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Covalent Bonding
Covalent bonding requires that electrons be shared between
atoms in such a way that each atom has its outer sp orbital
filled.

Example: In Hydrogen (Z=1),

a bond is formed between 2 atoms
by sharing their 1s1 electrons
Electron
Pair

H + H H H
Hydrogen Overlapping ElectronHClouds
1s1 Molecule
Electrons

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 In Si, with a valence of four, four covalent bonds must be formed

Example
Si – atomic number 14
covalent bond Si
1s22s22p63s23p2

The outmost shell needs 8

electrons (3s23p6) to be
saturated – achieved by
covalent bonding

Thus, the valence band is

completely filled

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Mixed bonding
‰ Ionic-Covalent bonding

Few compounds exhibit pure ionic or pure covalent bonding.

The bond type degree depends on their position in the Periodic Table:

the greater the difference in electronegativity, the more ionic

the bond. Conversely, the smaller the difference Ö larger
degree of covalency.

− 0.25( X A − X B ) ⎞
⎛ ⎟(100%)
2
% ionic character = ⎜1 − e
⎝ ⎠

XA, XB - electronegativities of the elements A and B in a compound AB

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† Covalent bonding tends to take place between elements with small
differences in electronegativity and close by in periodic table.
† Ionic bonding tends to take place between elements with large
differences in electronegativity and more separated in periodic table.

⎛ − 0.25( X A − X B )2 ⎞
% ionic character = ⎜1 − e ⎟ × 100%
⎝ ⎠

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Mixed bonding

‰ Metallic-Covalent bonding

Some transition metals

‰ Metallic-Ionic bonding

Some intermetallic compounds (large difference in

electronegativities)

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Carbon Containing Molecules
Methane
† In Methane, Carbon (Z=6) forms four molecule
covalent bonds with Hydrogen.
† Molecules are very weekly bonded
together resulting in low melting
temperature (-183oC).
† Carbon also forms bonds with itself.
† Molecules with multiple carbon bonds
are more reactive.
H H
¾ Examples: C C H C C H
H H Acetylene
C: 1s22s22p2 Ethylene

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Covalent Bonding in Benzene

† Chemical composition of Benzene is C6H6.

† The Carbon atoms are arranged in hexagonal ring.
† Single and double bonds alternate between the atoms.

Structure of Benzene Simplified Notations

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 Secondary bonds

weak bonds due to attraction of the electric dipoles contained

in atoms or molecules

Illustration of London forces, a type of a van der Waals force,

between atoms

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 Secondary bonds

The Keesom interactions are formed as a result of polarization of molecules or

groups of atoms. In water, electrons in the oxygen tend to concentrate away
from the hydrogen. The resulting charge difference permits the molecule to be
weakly bonded to other water molecules (hydrogen bond).
bond

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Atomic bond and material properties

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Good electric conductor
Good thermal conductor
Good ductility

When voltage is applied to a metal, the electrons in the electron

sea can easily move and carry a current

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Poor electric conductor
Poor thermal conductor
Poor ductility

When voltage is applied to an ionic material, entire ions must move to

cause a current to flow. Ion movement is difficult and slow and the
electrical conductivity is poor

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The force-distance curve for two materials, showing the relationship
between atomic bonding and the modulus of elasticity, a steep dFlda
slope gives a high modulus

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 (a) In polyvinyl chloride
(PVC), the chlorine atoms
attached to the polymer
chain have a negative
charge and the hydrogen
atoms are positively
charged. The chains are
weakly bonded by van der
Waals bonds. This
additional bonding makes
PVC stiffer, (b) When a
force is applied to the
polymer, the van der Waals
bonds are broken and the
chains slide past one
another
© 2003 Brooks/Cole Publishing / Thomson
Learning™

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 Example: Design of a Space Shuttle Arm

NASA’s space shuttles have a long manipulator robot arm, also

known as the Shuttle Remote Manipulator System or SRMS, that
permits astronauts to launch and retrieve satellites. It is also used
to view and monitor the outside of the space shuttle using a
mounted video camera. Select a suitable material for this device.

NASA’s Shuttle Remote

Manipulator System: SRMS
(Courtesy of Getty Images)

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Example Solution

Let’s look at two of the many material choices.

First, the material should be stiff so that little bending occurs when
a load is applied; this feature helps the operator maneuver the
manipulator arm precisely. Generally, materials with strong
bonding and high melting points also have a high modulus of
elasticity, or stiffness.

Second, the material should be light to permit maximum payloads

to be carried into orbit; a low density is thus desired. It is estimated
that it costs about US $100,000 to take the weight of a beverage can
into space! Thus, the density must be as low as possible.

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Example SOLUTION (Continued)
Good stiffness is obtained from high-melting-point metals (such as
beryllium and tungsten), ceramics, and certain fibers (such as carbon).
W, however, has a very high density, while ceramics are very brittle.
Be, which has a modulus of elasticity that is greater than that of steel and a
density that is less than that of aluminum, might be an excellent candidate.
However, toxicity of Be and its compounds must be considered.
The preferred material is a composite consisting of carbon fibers
embedded in an epoxy matrix. The carbon fibers have an exceptionally
high modulus of elasticity, while the combination of carbon and epoxy
provides a very low-density material. Other factors such as exposure to
low and high temperatures in space and on earth must also be considered.
The current shuttle robot arm is about 45 feet long, 15 inches in diameter
and weighs about 900 pounds. When in space it can manipulate weights
up to 260 tons.

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 Example Problem
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 g/mol

25g Ni Atomic Weight 58.69 g/mol

75 g
† Number of Cu atoms = ×N A = 1.1803 × N A
63 .54 g

25 g
† Number of Ni atoms = × N A = 0 .4260 × N A
58 .69 g

1.1803N A
† Atomic Percentage of Cu = ×100 = 73.5%
(1.1803+ 0.4260)N A
0 .4260 N A
† Atomic Percentage of Ni = × 100 = 25 .5 %
(1 .1803 + 0 .4260 )N A
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