Marcelino Dela Rama Tradio Jr

PRC-Registered Chemist
PRC-Professional Teacher
Assistant Professor
Department of Chemistry
School of Arts and Sciences
University of San Carlos
Nasipit Talamban Cebu City
6000, Philippines
Valence

§ Number of electrons in an atom found in the outermost shell (e.g. s and p shells)
that participate in bonding or chemical reactions.

Mg : 1s2 2s2 2p6 3s2 valence = 2

Al : 1s2 2s2 2p6 3s23p1 valence = 3
Si : 1s2 2s2 2p6 3s23p2 valence = 4
Periodic Table
§ Contain information
about the periodic
properties of the
elements.
§ Constructed based from
the electronic structure of
the elements.
§ In engineering, the main
concerns are:
§ Grp 4A: Polymers (C)
§ Grp 4A: Semiconductors
(C, Si, Ge)
§ Grp 1A-5B : Ceramics
§ Grp 1, 2 and Transition
elements : Metallic
Materials
§ Grp 2B & 6A (Se) :
Semiconductors
§ Grp 3A (Ga) & 5A (As) :
Semiconductors
Periodic Properties

§ Atomic Size
§ Ionization Energy
§ Electron Affinity
§ Electronegativity
Atomic Size
§ Distance between the
center of the nucleus of an
atom and its outermost
shell
§ Atomic radii not precise
from quantum theory
§ Empirical considerations:

Metallic radius

Covalent radius

Ionic radius
Atomic Size

§ Trends: increase down a group, decrease across a period (s, p blocks)

Atomic Size

§ Anomalies: d-block elements

Atomic Size

§ Anomalies: lanthanide contraction

Atomic Size

§ Anomalies: diagonal relationship

Ionic Radius

§ Cation: smaller radius than parent atom, reduction of repulsion following electron loss
§ Anion: Larger radius than parent atom, greater electron-electron repulsion
Ionization Energy

§ The minimum energy needed to remove an electron from a gas phase atom

E (g) ⟶ E+ (g) + e-

§ Largely determined by energy of the highest occupied orbital of the ground

state atom

§ Small radius, high I

Ionization Energy

§ Trends: decrease down a group, increase across a period

Ionization Energy
Ionization Energy

§ 2nd and 3rd ionization energies

§ Higher than preceding ionization energy, i.e.,
I1 < I2 < I3
§ Greater energy is required to remove an electron from a positively charge
species
Ionization Energy

§ Anomalies: Stability of half-filled or filled subshells

Electron Affinity

§ It is the energy release when an electron is added to a gaseous atom to form

anion.
§ Reflects the ability of an atom to accept an electron.
§ If the Ae is positive, energy is needed to force the atom to accept the
electron.
§ Determined by the energy of the lowest unfilled (or half-filled) orbital of the
ground state
§ Strong effective nuclear charge (electrons are strongly attracted to the
nucleus), High Ae
Electron Affinity

§ Trends: decrease down a group, increase across a period

§ Similar to ionization energy trends and anomalies
Electronegativity

§ Power of an atom to attract electrons to itself when it is part of a compound

§ High electronegativity of an atom, the greater its attraction for bonding
electrons.
Electronegativity

§ Trends: decrease down a group, increase across a period

Atomic Bonding

§ Four important mechanisms by which atoms and molecules are bonded in

engineered materials.
1. Metallic bonds
2. Covalent bonds
3. Ionic bonds
4. van der Waals interactions
Metallic Bond

§ Form when atoms give up their

valence electrons, 1, 2, or 3 from
each atom, which then form an
electron sea. The positive charged
atom cores are bonded by mutual
attraction to the negatively charged
electrons.
§ Bond is non-directional
§ Metals have good ductility, high
melting point.
§ Metals are good conductor of
electricity and heat.
Metallic Bond

§ When a voltage is applied to a

metal, the electrons in the electron
sea can easily move and carry a
current.
Covalent Bond

§ Bond formed by sharing of valence

electrons among two or more atoms.
§ Electronegativities are comparable.
§ Bond is directional (form specific
angles)
§ Covalently bonded materials (e.g.
diamond, silicon carbide, silicon
nitride) are very strong and hard,
high melting point
§ But, very low electrical conductivity.
Covalent Bond
Ionic Bond

§ Bond forms when one atom donate its valence electron to different atom,
filling the outer energy shell of the second atom.
§ Large difference in electronegativity required.
§ Bond is non directional
Ionic Bond

§ Ionic material conduct

electricity poorly as compared
to metallic material
§ When voltage is applied to an
ionic material, entire ions must
move to cause a current to flow.
Ion movement is slow and the
electrical conductivity is
therefore, poor.
Ionic Bond

§ Predominant bonding in Ceramics

van der Waals Interaction

§ It is an intermolecular forces of
attraction that holds molecules
together
§ It is known as secondary bond
which is a very weak bonds.
§ The interaction is attributed by the
presence of dipole moment or
induced dipole moment that
causes the change in electron
distribution among molecules.
§ Bond is directional
van der Waals Interaction
van der Waals Interaction

§ London forces
ü interaction between two dipoles
that are induced in atoms or
molecules
§ Keesom forces/Hydrogen Bonding
ü Interaction between molecules
that are permanently polarized
(permanent dipole moment)
§ Debye forces
ü Interaction between induced
dipole and permanent dipole.
Binding Energy, Inter-atomic Spacing & Physical Properties

§ Inter-atomic spacing
ü Equilibrium spacing between the centers of two atoms (at a particular
temperature)
ü Equilibrium separation occurs at its lowest energy state (IAE)
ü Attractive and repulsive forces are balanced.
ü Metals have inter-atomic spacing twice the atomic radius
ü Ionically bonded materials have inter-atomic spacing based on the sum of the two
different ionic radii.
§ Binding (bond) Energy
ü Energy required to separate two atoms or particles (or break the bond) from their
equilibrium spacing to an infinite distance apart
ü Applicable to subatomic particles in atomic nuclei, to electrons bound to nuclei in
atoms, and to atoms and ions bound together in crystals.
ü E=mc2 , some mass of bonded atoms/particles is converted into energy.
ü Materials having a high binding energy also have a high strength and a high
temperature
ü Ionically bonded materials have large binding energy compared to metals
Binding Energy, Inter-atomic Spacing & Physical Properties

§ Converting mass into binding energy

1. Determine the binding energy of the copper-63 atom (actual mass of Cu = 62.91367 amu)
a. Convert the mass defect into kg.

• Mass defect of copper-63

29 protons (1.00728 amu/proton) + 34 neutrons (1.00867 amu/neutron) = 63.50590 amu
Dm = 63.50590 amu – 62.91367 amu = 0.59223 amu
Dm = 0.59223 amu/nucleus X 1.6606 x 10-27 kg/amu = 9.8346 x 10-28 kg/nucleus

b. Convert the mass defect into its energy equivalent using Einstein’s equation
E = Dmc2
E = (9.8346 x 10-28 kg/nucleus)(2.9979 x 108 m/s)2
E = 8.8387 x 10-11 J/nucleus
Binding Energy, Inter-atomic Spacing & Physical Properties

§ Converting mass into binding energy

1. Determine the binding energy of the copper-63 atom (actual mass of Cu = 62.91367 amu)

c. To convert the binding energy to kj/mol of nucleis

(8.8387 x 10-11 J/nucleus) (1kJ / 1000 J) (6.022 x 1023 nuclei/mol) = 5.3227 x 1010 kJ/mol of nuclei

d. To convert the binding energy to MeV (megaelectron volts) per nucleon

(8.8387 x 10-11 J/nucleus) [1 MeV/ (1.602 x 10-13 J)] (1 nucleus/63 nucleons) = 8.758 MeV/nucleon
Binding Energy, Inter-atomic Spacing & Physical Properties

§ Converting mass into binding energy

2. Calculate the binding energy per nucleon for an alpha particle whose mass defect is 0.0292 amu.

Mass defect = (0.0292 amu) (1.6606 x 10-27 kg/amu) = 0.04848 x 10-27 kg/nucleus
E = Dmc2
E = (0.04848 x 10-27 kg/nucleus)(2.9979 x 108 m/s)2
E = 0.4357 x 10-11 J/nucleus
Binding Energy, Inter-atomic Spacing & Physical Properties

§ Modulus of elasticity, Young’s

modulus, is slope of the stress-
strain curve in elastic region
(macroscopic), can be derived
from the slope of force versus
distance curve at inter-atomic
spacing (microscopic)
Binding Energy, Inter-atomic Spacing & Physical Properties

§ Coefficient of thermal expansion is also explained from binding energy curve and
inter-atomic spacing
Binding Energy, Inter-atomic Spacing & Physical Properties

§ Melting temperature is also explained from binding energy curve and inter-atomic
spacing
Binding Energy, Inter-atomic Spacing & Physical Properties
Binding Energy, Inter-atomic Spacing & Physical Properties