AQA Chemistry A-level

3.1.1: Atomic Structure

Detailed Notes

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3.1.1.1 - Fundamental Particles

The model for atomic structure has evolved over time as knowledge and scientific
understanding changes.

Plum Pudding Model

It was initially thought that atoms consisted of a ​sphere of positive charge​, with small ​negative
charges ​distributed evenly​ within it.

Electron Shell Model

It is now known that the atom consists of a
small, dense central nucleus​ surrounded by
orbiting electrons​ in electron ​shells​. This was
discovered in the Rutherford scattering
experiment in 1911.

The nucleus consists of ​protons and neutrons

giving it an overall ​positive​ charge. It contains
almost the entire ​mass​ of the atom.
In a neutral atom, the number of electrons is equal
to the number of protons due to the relative
charges.

Particle Proton Neutron Electron

Relative Charge +1 0 -1

Relative Mass 1 1 1/1840

The maximum number of orbiting electrons that can be held by any single shell, depends on the
​
number of the shell. This can be calculated using ​2​n2​​ where​ n​ is the number of the shell.
Example:
Electrons in shell 2 = 2(2​2​) = 8 electrons

Each electron shell ​must fill​ before the next one can hold any electrons.

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3.1.1.2 - Mass Number and Isotopes

Mass number is represented using ​A​ ​and can be calculated as the ​sum of protons and
neutrons​ in an atom.

Atomic number is represented using​ ​Z​ ​and is ​equal to the number of protons​ in an atom.
Using these, the quantity of each fundamental particle in an atom can be calculated.

Example:

Atomic number = 7
Mass number = 14

Proton number = 7

Neutron number = 14 - 7
=7

Relative atomic mass (​Ar​)​ is defined as:

The mean mass of an atom of an element, divided by one twelfth of the mean mass of an
atom of the carbon-12 isotope.

This takes the ​relative abundances​ of the different ​isotopes​ of an element into account.

Isotopes
Isotopes are atoms of the same element with the ​same atomic number​, but with a ​different
number of neutrons​, resulting in a ​different mass number​.

Neutral atoms of isotopes will ​react chemically in the same way​ as their proton number and
electron configuration is the same. The sharing and transfer of electrons is unaffected.
However, the different mass number means they have ​different physical properties​.

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Example:

Hydrogen = 1 proton and 0 neutrons

Deuterium = 1 proton and 1 neutrons
Tritium = 1 proton and 2 neutrons

Ions
Ions are formed when an atom ​loses or gains electrons​ meaning it is no longer neutral and
will have an ​overall charge​.

Mass Spectrometry
This is an ​analytical technique​ used to identify different isotopes and find the overall relative
atomic mass of an element.

Time of Flight (TOF) Mass Spectrometry

This form of mass spectrometry records the time it takes for ions of each isotope to reach a
detector. Using this, ​spectra​ can be produced showing ​each isotope present​.

1. Ionisation​ - A sample of an element is ​vapourised​ and injected into the mass

spectrometer where a ​high voltage​ is passed over the chamber. This causes electrons
to be removed from the atoms (it is ionised) leaving ​+1 charged ions​ in the chamber.

2. Acceleration​ ​- These positively charged ions are then ​accelerated​ towards a negatively
charged ​detection plate​.

3. Ion Drift​ ​- The ions are then deflected by a ​magnetic field​ into a ​curved path​. The
radius of their path is dependent on the charge and mass of the ion.

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 4. Detection​ ​- When the positive ions hit the negatively charged detection plate, they ​gain
an electron​ producing a ​flow of​ ​charge​. The greater the abundance, the greater the
current produced.

5. Analysis​ ​- These current values are then used in combination with the ​flight times​ to
produce a ​spectra print-out​ with the relative abundance of each isotope displayed.

During the ionisation process, a ​2+ charged ion​ may be produced. This means it will be
affected more by the magnetic field producing a curved path of ​smaller radius​. As a result, its
mass to charge ratio (m/z) is halved and this can be seen on spectra as a trace at ​half the
expected m/z value​.

Example:

Using this spectra, the ​Ar​ can be calculated​:

Example:

Ar = ​(10x75) + (12x25) ​= 10.5

(75 + 25)

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Chlorine Spectra
Spectra produced by the mass spectrometry of chlorine display a ​characteristic pattern​ in a
3:1 ratio for Cl​+​ ions​ and a ​3:6:9 ratio for Cl​2​+​ ions​. This is because one isotope is more
common than the other and the chlorine molecule can form in different combinations.

Example:

​ 70​
Cl​2​+ ​= 35 + 35
72​
Cl​2​+ ​= 35 + 37 OR = 37 + 35
74​
Cl​2​+ ​= 37 + 37

3.1.1.3 - Electron Configuration

Electron Orbitals
Electrons are held in ​clouds of negative charge​ called ​orbitals​. There are different types of
orbital;​ ​s​, ​p​, ​d​ and ​f​. ​Each one has a different shape:

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These orbitals correspond with ​blocks​ on the Periodic Table. Each element in the block has
outer electrons in that orbital​.

Each orbital can hold a different number of electrons before the next one is filled:

s-orbital = 2 electrons
p-orbital = 6 electrons
d-orbital = 10 electrons

The ​energy​ of the orbitals ​increases from s to d​ meaning the orbitals are​ filled in this order​.
Each orbital is filled before the next one is used to hold electrons.
Example:

Sodium has 11 electrons. These would be written in the following configuration:

Na = 1s​2​2s​2​2p​6​3s​1

It has 3 energy levels and 4 orbitals holding the 11 electrons.

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Spin
Within an orbital, electrons ​pair up with opposite spin​ so that the atom is as ​stable​ as
possible. Electrons in the ​same orbital must have opposite spin​. Spin is represented by
arrows​.

Example:

Overall there are ​three rules​ for writing out electron configurations:

1. The lowest energy orbital is filled first.

2. Electrons with the same spin fill up an orbital first before pairing begins.
3. No single orbital holds more than 2 electrons.

The following table (courtesy of Ellesmere Chemistry) shows the electron configuration and
orbital diagrams for Period 2 elements:

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Exceptions to the Rules
If electron spins are ​unpaired​ and therefore ​unbalanced​, it produces a ​natural repulsion
between the electrons making the atom very ​unstable​. If this is the case, the electrons may
take on a ​different arrangement​ to improve stability.
Example:

The ​3p​4​ ​orbital contains a single pair of electron with opposite spin making it unstable:

Therefore the electron configuration changes to become​ 3p​3​4s​1​ which is a much more
stable arrangement:

Ionisation Energy
Ionisation energy is defined as:

the minimum energy required to remove one mole of electrons from one
mole of atoms in a gaseous state. It is measured in kJmol​-1​.

Na​(g)​ ---------> Na​+​(g)​ + e​-

Successive ionisation energies​ occur when further electrons are removed. This usually
requires ​more energy​ because as electrons are removed the ​electrostatic force of attraction
between the positive nucleus and the negative outer electron ​increases​. More energy is
therefore needed to ​overcome this attraction​ so ionisation energy increases.

First ionisation energy follows ​trends​ within the Periodic Table.

Along a Period​ ​- first ionisation energy ​increases​ due to a ​decreasing atomic radius​ and
greater electrostatic ​forces of attraction​.

Down a Group​ ​- first ionisation energy ​decreases​ due to an ​increasing atomic radius​ and
shielding​ which reduces the effect of the electrostatic forces of attraction.

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When successive ionisation energies are plotted on a graph, a ​sudden large increase
indicates a ​change in energy level​. This is because the electron is being removed from an
orbital ​closer to the nucleus​ so ​more energy is required​ to do so.

This large energy increase provides ​supporting evidence for the atomic orbital theory​.

The first ionisation energy of ​Aluminium​ is ​lower than expected​ due to a single pair of
electrons with ​opposite spin​. As a result there is a ​natural repulsion​ which reduces the
amount of energy needed to be put in to remove the outer electron.

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