DR.

RONALD BROWN (RONNIE)

Subject Coordinator
[email protected]
42213039
18.G20

MATTER
WEEK THREE:
ON THE
Learning Outcomes:
⚙ Understand concepts:
– Why we describe electrons in terms of atomic
orbitals ⚙ Demonstrate:
– ‘Aufbau Principle’
– Knowledge of 4 quantum numbers by naming and describing
– Link between electron configurations and the
each – Understanding of electron configuration by writing
periodic table
configuration for given elements using periodic table
– Links between types of bonding and properties of
compounds: ionic, metallic and covalent (including – Understanding of Lewis dot notation by drawing structures
electronegativity and polarity) for given covalent compounds
– Understanding of VSEPR theory by predicting molecular
shape
The Bohr Model Had Strengths and Weaknesses
Bohr Model:
⚙ Electrons orbiting the nucleus does
not reflect their wave properties.

energy level increases

Shell (n) Max.
Electrons
⚙ Electrons occupying discreet
1 2
energy levels (i.e. n=1 or n=2, not in
2 8 between) does reflect their
3 8
quantum state.
4 18

quantum
mechanics
Heisenberg Uncertainty Principle
tells us that the more we know
about the momentum of a particle,
the less we know about its position.

probability density Werner Heisenberg

⚙ The Schrödinger equation contains accurate information about the

momentum of an electron, therefore we can only describe its position in
terms of probability density, i.e. electron density.
The Schrödinger Equation Leads to Atomic Orbitals
⚙ Erwin Schrödinger developed a mathematical equation using quantum
mechanics to incorporate both the wave and particle nature of matter.

Don’t need to use

solve this in CHEM103!

ψ square ψ2 =
wavefunction
(or series of) indicates probability
density, i.e. electron atomic
predicts possible energies / density orbital
quantum states of electrons

⚙ Each state is an orbital, which are subshells within shells (energy levels).
⚙ The electron states and orbitals are described by 4 quantum numbers.
Atomic Orbitals Are Described By 4 Quantum Numbers
Bohr Model: l = 1 (p orbital)
ml = -1, 0, 1
= 3 x p orbitals

s orbital p orbital d orbital

l = 2 (d orbital)
ml = -2, -1, 0, 1, 2
= 5 x d orbitals

n determines l determines ml
Principal Quantum Angular Momentum (Azimuthal) Magnetic Quantum Number
Number Quantum Number
• Describes orbital • Describes orbital shape. • Describes 3D orientation of orbital.
energy level and size.
• l is an integer from 0 to n − 1. • ml is an integer from −l to l (including 0)
• n is an integer ≥ 1.

⚙ Therefore, on any given energy level, there can be up to 1 s orbital, 3 p

orbitals, 5 d orbitals, 7 f orbitals, and so forth.
4th Quantum Number and Pauli Exclusion Principle

⚙ The “spin” of an electron describes its magnetic

field, which affects its energy.

⚙ Two electrons in the same orbital do not have

exactly the same energy.

We fill orbitals with max. 2 electrons each:

ms different spin! (different ms for each e–)

Spin Quantum Number

• Describes ‘spin’ of an electron.

1 1
• ms is + or –
2 2

⚙ Pauli Exclusion Principle: no two electrons in the same atom can have the
same set of four quantum numbers.
The Aufbau Principle Fills Lowest-Energy Orbitals First

Aufbau: translates to ‘construction’ in German, relates to ‘building up’ orbitals with e –.

The Aufbau Principle Fills Lowest-Energy Orbitals First
Hydrogen atom (1 e– only): Many-electron atoms (more than 1 e–):
Increasing electrons REPEL each other and
energy levels begin to OVERLAP.
The Aufbau Principle Fills Lowest-Energy Orbitals First
4s lower energy than 3d
and filled FIRST!

Hund’s Rule: energy minimized when electrons of

the same spin are spread across sub-orbitals first.
The Periodic Table is the Best Guide to Filling Orbitals
Question: what is the condensed electron figuration of arsenic? Groups: same valence
e– configuration

determines …p3…p4…p5
chemical
properties!

Periods:
same principal Ar
quantum number
As
There Are Three Basic Types of Chemical Bonds
⚙ Ionic: electrostatic attraction between ions, common
between metals and nonmetals
eg. table salt (NaCl, Na+ and Cl–)

⚙ Covalent: sharing of electrons, common between

nonmetals, carbon (organic) compounds, polymers
eg. sugar (sucrose, C12H22O11, no ions here)

⚙ Metallic: metal atoms in ‘zerovalent’ state, valence

electrons free to move around 3D lattice of metal atoms
eg. metal in spoon

⚙ The electronic structure of the atoms involved

determines the bonding type.
⚙ Bonding type can influence properties of matter, eg.
metals conduct electricity due to ‘sea of electrons.’
Lewis Dot Diagrams Show Electronic Information
⚙ G. N. Lewis developed a method to denote potential bonding electrons by
using one dot for every valence electron around the element symbol.
⚙ When forming compounds, atoms tend to gain, lose, or share electrons until
they are surrounded by eight valence electrons (the octet rule).

Metals lose e– to form cations: Non-metals gain e– to form anions:

– e- + e- –1
Li → Li+ i.e. [He] Cl → Cl i.e. [Ar]
full outer
1s22s1 1s2 1s2 shell! 1s22s22p63s23p5 1s22s22p63s23p6 1s22s22p63s23p6

– 3e-
–2
Al → Al3+ i.e. [Ne] + 2e-
O → O i.e. [Ne]
NOTE: transition metals lose valence
e– from s orbital first, THEN d orbital! full octet!
Their ions do NOT obey the octet rule.
Ionic Bonding Affects Properties of Ionic Compounds

smaller: fewer e–, less

repulsion, outer shell empty

ionic
bond

3D lattice: 6 x Cl– around each

larger: more e–, more repulsion, Na+, 6 x Na+ around each Cl–
more space occupied

⚙ Ionic bonding influences properties of ionic compounds: m.p. NaCl

– ionic lattice structure → brittle, crystalline solids 〜 800 °C
– strong electrostatic forces (opposite charges) → high melting points
– ions can be solvated → soluble in water (not all ionic compounds)
– presence of charged ions → conduct electricity in solution/molten form
Metallic Bonding Affects Properties of Metals
⚙ Metallic bonding can be characterized by:
– formation of a lattice structure achieving electronic stability
– closely-packed structures (8 or 12 nearest neighbors to each atom)
– ‘sea’ of shared, delocalized valence electrons free to move throughout
– electrostatic attractions between the ions and ‘sea of electrons’

⚙ Metallic bonding influences properties of metals:

– ‘sea of electrons’ → excellent conductors of heat and electricity
– ability of metal ions within lattice to move over one another within ’sea
of electrons’ → malleable, can be hammered into sheets
→ ductile, can be drawn into wires
Covalent Bonding is the Sharing of Electrons
⚙ The majority of chemical compounds exhibit covalent bonding.
⚙ Covalent bonding results in gases, liquids and low melting point solids.
⚙ The model of bonding is very different from ionic and metallic, due to sharing
of electrons. This is best demonstrated using LEWIS DOT STRUCTURES.
Hydrogen gas molecule: Chloride ion:

+ e- –1

=H H Cl → Cl
full octet!
= H–H
Chlorine gas molecule:
= H2
Cl Cl → Cl Cl
full octet! full octet!
= Cl–Cl
= Cl2
Covalent Bonding Allows Double and Triple Bonds
Carbon dioxide molecule: O has 8 e– O has 8 e–

O C O → O C O
C has 8 e–
lone pair
Group VI(6):
of e–
6 valence e– = O=C=O
= CO2
Guidelines To Help Draw Lewis Structures
1. Add up all valence electrons from each of the atoms in the molecule.
2. Add an extra electron/s if species is anionic (eg. -1 charge, add 1 electron).
3. Subtract electron/s if species is cationic (eg. +1 charge, subtract 1 electron).
4. Put atom with highest binding capacity (valency) central and give possible structure
with single bonds.
5. Start assigning electrons: 2 to each single bond.
6. Complete the octets on non-central atoms.
7. Place leftover electrons on central atom.
8. Not enough electrons? Try multiple bonds.
PCl3: 1.) 1 x P (group 5), 5 valence e –, 3 x Cl (group 7), 7 valence e – each = 26 valence e–
2-3.) No charge.
4.) P valency = 3 (needs 3 e – to fill outer shell), Cl valency = 1
7.) 26 e–

5.) 6 e– octets on all

in bonds 6.) 24 e– non-central 2 e–
atoms
Guidelines To Help Draw Lewis Structures
Exercise: Provide Lewis structures for:
• O2
• N2
• NH3
Delocalised Electrons Require Multiple Structures
⚙ Resonance is the delocalization of electrons within molecules.
⚙ Some molecules cannot be accurately described by a single Lewis dot
structure, but rather a resonance hybrid (an average of two structures).

For example, ozone (O3) can be drawn as two separate resonance structures:

…or as a single resonance hybrid:

Not All Bonds Share Electrons Equally
⚙ Electronegativity is the ability of an atom in a molecule to attract electrons to
itself.
⚙ Some On the periodic table, electronegativity generally increases:
– From left to right across a period.
– From bottom to top of a group.

Fluorine is the most

electronegative element
Not All Bonds Share Electrons Equally
⚙ The electrons in a covalent bond are not always shared equally (due to
electronegativity differences).
⚙ Bond polarity is a measure of how equally or unequally the electrons in a
covalent bond are shared.
– Nonpolar Covalent Bond: electrons are shared equally.
– Polar covalent bond: one of the atoms attracts electrons to itself with a
greater force than the other.

partial positive charge

partial negative charge

both fluorine atoms pull electrons pulled away from hydrogen

electrons equally: nonpolar atom towards fluorine: polar
Not All Bonds Share Electrons Equally

⚙ Electronegativity differences can help determine if a compound is likely to

exhibit ionic or covalent bonding.

⚙ Atoms with similar electronegativity values (i.e. elements closer together on

the periodic table) are likely to share electrons via covalent bonds.

⚙ Elements very far apart on the periodic table are more likely to exhibit ionic
bonding (i.e. electronegativity difference is so high that e– occupy one atom).
Molecular Shape Can Be Found From Lewis Structures
⚙ VSEPR: valence shell electron pair repulsion
⚙ Electron domain is the space occupied by valence electrons (region of
negative charge)

⚙ The best geometrical arrangement around an atom is one that MINIMIZES

repulsions between electron pairs.
SOME common molecular geometries (showing electron pair arrangements):

trigonal
linear trigonal planar pyramidal tetrahedral

⚙ Electrons may be in a:
– single bond pair
– multiple bond pair (eg. double, triple)
– lone pair (non-bonding)
Molecular Shape Can Be Found From Lewis Structures
⚙ Methane (CH4) has 4 electron domains (located in 4 single bonds).
⚙ It contains 1 central atom and 4 attached atoms, with no lone pairs.
⚙ In order to minimise electron repulsion, it takes up a tetrahedral geometry.

Lewis
structure

⚙ Consider other hydrocarbons such as ethane:

their carbon centres also take up a tetrahedral
geometry.
Molecular Shape Can Be Found From Lewis Structures
⚙ Ammonia (NH3) has 4 electron domains (located in 3 single bonds and ONE
LONE PAIR).
⚙ In order to minimise repulsion, the electron domains form a tetrahedron-like
geometry, which leaves the atoms in a trigonal pyramidal geometry.

107 ° 107 °

Lewis structure

=
Molecular Shape Can Be Found From Lewis Structures
⚙ Water (H2O) has 4 electron domains (located in 2 single bonds and TWO
LONE PAIRS).
⚙ In order to minimise repulsion, the electron domains form a tetrahedron-like
geometry, which leaves the atoms in a bent geometry.

Lewis structure

– consider the –OH group in ethanol (C2H5OH)

Not All Lewis Structures Follow the Octet Rule
⚙ In some structures (eg. more than 4 bonds, central atoms such as sulfur), the
central atom will end up with more than 8 electrons (eg. PCl5, SF6).
⚙ Boron does not obey the octet rule: it forms structures with 6 valence
electrons rather than eight.

120 °
Some elements like sulfur
can expand their octet!

• 3 electron domains, no lone pairs

• trigonal planar (flat)
Useful Summary of Ionic vs. Molecular Compounds
DR. RONALD BROWN (RONNIE)
Subject Coordinator
[email protected]
42213039
18.G20

MATTER
WEEK THREE:
ON THE
Learning Outcomes:
⚙ Understand concepts:
– Why we describe electrons in terms of
atomic orbitals ⚙ Demonstrate:
– Link between electron configurations and
the periodic table – Knowledge of 4 quantum numbers by naming and describing
each – Understanding of electron configuration by writing
– Links between types of bonding and
properties of compounds: ionic, metallic configuration for given elements using periodic table
and covalent (including electronegativity – Understanding of Lewis dot notation by drawing structures
and polarity) for given covalent compounds
– Understanding of VSEPR theory by predicting molecular
shape