BASIC QUANTUM THEORY

Lecture 1: Revision on Chemistry

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What is chemistry is all about?

Chemistry is explained through sharing or transferring
electrons
How are the electrons arranged in an atom?

What orbitals are preferentially filled by electrons?

What is an electron configuration?

CHM3010-Atomic Theory

What is an element?
An element is the simplest type of matter with unique
physical and chemical properties.
An element consists of only one kind of atom.

CHM3010-Atomic Theory

An Atom
Definition of an atom:
The smallest bit of a chemical element that retains the
identity of that element is called an atom.
Is it possible to break down an element into a simpler type of
matter?
No. It is impossible by any physical or chemical methods.
Yes or No by nuclear methods.

Each element has its own name such as hydrogen, sodium,

nickel, gold, etc

specific macroscopic properties such as color, density,
combustibility, reactivity, etc because the properties of its
atoms are unique.
CHM3010-Atomic Theory

The existence of elements in nature

As a populations of atoms neon gas (randomly arrange)
Metal ( crystal periodical arrays of atoms)
As molecules a discrete structure consisting of two or

more atoms of the element that are chemically bound

together.
As compounds. A type of matter composed of two or more
different elements that are chemically bound together.
Can be found in the form of molecules or non-molecular
type of compounds (ionic compounds).
Examples molecular compounds
Ammonia
Methane

CHM3010-Atomic Theory

Non-molecular compounds
Example of non-molecular compounds

Sodium chloride

Copper sulphate

Since a compound formed by a chemical process, its properties

are different from those of its component elements.

What is a mixture
A group of two or more substance (elements and/or compounds)

that are physically intermingled. The composition of a mixture

can vary.

CHM3010-Atomic Theory

Atomic Structure and Function:

Outline

Early history in 18th and 19th centuries

Discovery of elements and the Periodic Table (1869)
Discovery of the electron (1897)
Discovery of the nucleus (1911)
Atomic structure with consternation
Atomic structure: the Bohr atom (1913)
Atomic Structure: Theory of Quantum Mechanics (1930s)
Applications of our understanding

Early History in 18th and 19th Century

Atomic Theory of Dalton
Atoms
Elements
Molecules/compounds (e.g., water or H2O)
Atoms as basis for understanding chemistry but
without electrons, protons and neutrons (analogy to a
marble)

Early History in 18th/19th Century:

Discovery of Elements
30 elements known in early 1800s

Mendeleev and the Periodic Table (1869)

63 elements known w/o any organization
Ordering of elements
Mass from low to high
Chemical property by column (all behave similarly in a chemical
sense); examples

Column I: react with chlorine (1:1 ratio)

Hydrogen (H), Lithium (Li), Sodium (Na), Potassium (K)
Column VII: react with chlorine in (2:1 ratio)
Helium (He), Neon (Ne), Argon (Ar), Krypton (Kr)

Mendeleevs Contribution
Arrange elements from light to heavy

Arranged elements by chemical behavior

Spatial ordering via rows and columns
Product: Periodic Table of Elements
Predictive tool
Immensely creative insight (informatics)
Example of missing elements and predictive capability
of Table

Daltons Atomic Theory

1. Elements are made of tiny particles called atoms.
2. All atoms of a given element are identical (not exactly;
isotopes)
3. The atoms of a given element are different from those of
any other element.
4. Atoms of one element can combine with atoms of other
elements to form compounds. A given compound always
has the same relative numbers and types of atoms.
5. Atoms are indivisible in chemical processes. That is,
atoms are not created or destroyed in chemical reactions.
A chemical reaction simply changes the way the atoms
are grouped together.

CHM3010-Atomic Theory

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Daltons Postulates
All matter is composed of atoms
Atoms cannot be made or destroyed
All atoms of the same element are identical
Different elements have different types of atoms
Chemical reactions occur when atoms are rearranged

Compounds are formed from atoms of the constituent

elements.
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Dalton imagined atom as extremely small and indivisible but

by 1850's investigations began to demonstrate that atoms
possess internal structure.
Late 19th century J.J. Thomson used a cathode ray tube

to obtain mass to charge ratio of an electron.

In 1908 Millikan determined charge of electron.
Rutherford proposed that all positive charges are
concentrated in a central core called nucleus. (must have
same number as electrons since atom is neutral)
In 1932 James Chadwick showed that there also existed
neutral particles he called neutrons. (need to account for
discrepancy in atomic mass of H and He)

Nuclear Atoms
Dalton treated atoms like hard billiard
balls

Experiments later showed that parts of

the atoms can be pulled away

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Cathode Rays

Discharge Tube

Electric Energy created stream of particles

Deflected by electric field (remember opposites attract, like repel)
Infers that these particles are negatively charged
No matter what element the cathode was made of identical negatively
charged particles were generated
These particles are electrons
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Cathode Rays

Discharge Tube

Introducing a small amount of gas into tube

the stream of cathode rays interacts generating separating
electrons from the gas and generating positively charged
species
These positively charged species depended on the gas used.
Hydrogen produced the lightest of these positively charged species
This hydrogen ion was called a proton

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Thompsons Experiment: Discovery of the

Electron
Idea that there may be some smaller components that
comprise atoms
Hypothesis: Atoms consist of some subcomponents,
one of which is negatively charged
Experiment to test hypothesis

Thompsons Experiment: Discovery of the

Electron
Idea that there may be some smaller components that
comprise atoms
Hypothesis: Atoms consist of some subcomponents,
one of which is negatively charged
Experiment to test hypothesis

Used stream of alpha particles (Helium nuclei) to probe the make-up of

atoms

Rutherfords Gold Foil Experiment

Used stream of alpha particles (Helium nuclei) to probe

the make-up of atoms

Most a particles passed straight through
Some were deflected

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Rutherfords Interpetation

Most a particles passed straight through

Implies atoms are mostly empty space

Some particles were deflected

Implies atoms have concentrated bits of positively charged

matter
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Subatomic Particles (Building blocks of Atoms)

amu - Atomic Mass Units defined as 1/12 the mass of Carbon12

(abbreviated u)

These building blocks are put together to form atoms

Atomic number (Z) is the number of protons in the nucleus of an atom
of an element
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Subatomic Particles (Building blocks of Atoms)

Particle

Symbol

Proton
Neutron
Electron

p+
n
e-

Approx.
Mass
1 amu
1 amu
1/1840 amu

Charge
1+
0
1-

Location in
Atom
Nucleus
Nucleus
Outside
nucleus

amu - Atomic Mass Units defined as 1/12 the mass of Carbon-12

(abbreviated u)

These building blocks are put together to form atoms

Atomic number (Z) is the number of protons in the nucleus of an atom
of an element
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General features of the atom today.

The atom is an electrically neutral, spherical entity composed of a
positively charged central nucleus surrounded by one or more negatively
charge electrons.
The atomic nucleus consists of protons and neutrons.

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Sub-atomic particles

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Atomic Number and Elements

Recall - an element is a substance that cannot be
broken down into simpler substances by chemical
reactions

All atoms of a given element have the same atomic

number (number of protons), which determines
the identity of the element
An elements identity comes from the number of protons in its nucleus
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Nuclear Model of the Atom

Helium atom example
Not to Scale!
+
-

Electron

Proton
Neutron

2 Protons make this helium

2 Neutrons just add to the mass
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Isotopes
Hydrogen example
All hydrogen atoms have 1 proton (atomic number 1)
Some have a neutrons in the nucleus

Deuterium

Hydrogen
-

1
1

1 Proton
Mass 1 amu

2
1

1 Proton
1 Neutron
Mass 2 amu

Tritium

3
1

1 Proton
2 Neutrons
Mass 3 amu

All the same element, but with different number of neutrons and hence different
masses

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Isotopes
Isotopes are atoms that have the same number of

protonsthe same atomic numberbut different

numbers of neutronsdifferent mass numbers.
Dalton thought all atoms of the same element would
have the same mass, but experimental observations showed
that all atoms of the same element have the same atomic number

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Atomic Symbols, Isotopes, Numbers

X
Z

The Symbol of the Atom or Isotope

X = Atomic symbol of the element

A = mass number; A = Z + N

Z = atomic number
(the number of protons in the nucleus)

N = number of neutrons in the nucleus

Isotope = atoms of an element with the same
number of protons, but a different number
of neutrons

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Mass Number = number of protons + number of Neutrons

Mass Number

Symbol

Charge
(if ion)

Atomic Number

Atomic number = number of protons

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Hydrogen

1
1

Protons: 1
Neutrons: 0
Electrons: 1

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Sodium

23
11

Na

Protons: 11
Neutrons: 12
Electrons: 11

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Rhenium

186
75

Re

Protons: 75
Neutrons: 111
Electrons: 75

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Rhenium isotope

187
75

Re

Protons: 75
Neutrons: 112
Electrons: 75

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EXAMPLE
How many protons, neutrons and electrons are found in an
atom of

133
55

Cs

Atomic number = protons and electrons

There are 55 protons and 55 electrons

Mass number = sum of protons and neutrons

133 55 = 78
There are 78 neutrons
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Isotopes
Most elements exist in nature as a mixture of isotopes
The atomic mass of an element is the average of all
the atomic masses of the isotopes.
an isotopes contribution is determined by its relative
abundance.

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90.51%

0.27%

Isotope
Neon-20
Neon-21
Neon-22

Mass
19.992 u
20.994 u
21.991 u

9.22%

Relative
Abundance
90.51 %
0.27 %
9.22 %

Contribution to
Average Mass
18.09 u
0.057 u
2.03 u

20.18 u
Atomic Mass of Neon
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Many subatomic particles but 3 fundamental

and particularly important to chemistry
1.
2.

3.

Electron - mass = 9.1094 x 10 -31 kg,

light particle, negative charge = -1.6022 x 10 -19 C
Proton - mass = 1.6726 x 10 -27kg
positive charge = +1.6022 x 10 -19 C
1836 me
Neutron - mass = 1.67493 x 10 -27kg 1.00138 mp
no charge