Learning Outcomes – Week 1

Atomic structure and properties

➢ Know the basic structure of an atom (sub-atomic particles) and discuss their basic properties and how they
are arranged in the atom.
➢ Protons, neutrons and electrons.
➢ Isotopes and mass spectroscopy.
➢ Electron configuration, quantum shells, orbitals and sub-shells.
➢ Interpret the periodic table, and identify, describe and
explain particular trends in the periodic table.
➢ Atomic and ionic radii.
➢ Nuclear shielding and effective nuclear charge.
➢ Ionisation energy.
➢ Electron affinity.
➢ Electronegativity.
 Nucleus and the proton
➢ Modern atomic theory revealed the presence of a very small nucleus containing most of
the atomic mass (protons (positively charged) and neutrons (neutral)).
➢ Electrons make up most of the volume of the atom, but only a small amount of the mass.
➢ The nucleus is about 100,000 times smaller than the atomic diameter (about 10-10 m).

➢ Image credit:
➢ Chemistry 2e – Openstax.
➢ https://openstax.org/apps/image-
cdn/v1/f=webp/apps/archive/2023
0620.181811/resources/593f2076
30a46c81d03967246cae21946c2c
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 Protons and the atomic number
➢ The atomic number, Z.
➢ Specific for each element and the same for all atoms of that element.
➢ Equal to the number of protons in an atom.
➢ Appears above the symbol of an element.
➢ Each element has a unique chemical symbol and name.
➢ You need to be able to access this information from a periodic table.
Atomic number
7 24 35
Symbol

Relative atomic mass

N Cr Br Name

Nitrogen Chromium Bromine

14.01 51.99 79.90
Atoms are neutral
An atom of any element:
• is electrically neutral; it has a net charge of zero.
• has an equal number of protons and electrons.
Look at the table below to remind you of some basic properties of
protons, neutrons and electrons.
Use this information to consider why an atom always has a net charge
of zero. Particle Where in the Relative mass Relative
atom? (amu) charge
proton nucleus 1 +1
neutron nucleus 1 0
electron orbitals 1/1840 −1
Protons, neutrons and the mass number
➢ The mass number, A, represents the number of particles in the nucleus.
➢ protons and neutrons.
➢ A = Z + the number of neutrons.
➢ Doesn’t appear on the periodic table because it applies to a single atom only.

➢ Use the table to

understand the
relationship
between Z, A and
the sub-atomic
particles.
Isotopes
➢ Isotopes
➢ are atoms of the same element that have different mass numbers, A.
➢ have the same number of protons (Z), but different numbers of neutrons.
➢ An atomic symbol
➢ represents a particular isotope of an element.
➢ gives the mass number in the upper left corner and the atomic number in the
lower left corner.

Mass number Chemical symbol

Atomic
number

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Atomic Mass
➢ Look at your periodic table.
➢ The relative atomic mass of an element is…
➢ listed below the symbol of each element on the periodic table.
➢ calculated based on the weighted average of all naturally occurring isotopes.
➢ based on its comparison to the mass of 12C.
➢ not the same as the mass number.
7 24 35

Relative atomic mass N Cr Br

Nitrogen Chromium Bromine
14.01 51.99 79.90
Isotopes of Magnesium - example
➢ Magnesium has three naturally occurring isotopes – see table.
➢ To calculate the relative atomic mass of magnesium…
➢ Percent abundance and mass of each isotope is required.
𝑟𝑒𝑙𝑎𝑡𝑖𝑣𝑒 𝑎𝑡𝑜𝑚𝑖𝑐 𝑚𝑎𝑠𝑠 = ෍(𝑓𝑟𝑎𝑐𝑡𝑖𝑜𝑛𝑎𝑙 𝑎𝑏𝑢𝑛𝑑𝑎𝑛𝑐𝑒 𝑥 𝑖𝑠𝑡𝑜𝑝𝑖𝑐 𝑚𝑎𝑠𝑠)𝑖
𝑖

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Calculating relative atomic mass
𝑟𝑒𝑙𝑎𝑡𝑖𝑣𝑒 𝑎𝑡𝑜𝑚𝑖𝑐 𝑚𝑎𝑠𝑠 = ෍(𝑓𝑟𝑎𝑐𝑡𝑖𝑜𝑛𝑎𝑙 𝑎𝑏𝑢𝑛𝑑𝑎𝑛𝑐𝑒 𝑥 𝑖𝑠𝑡𝑜𝑝𝑖𝑐 𝑚𝑎𝑠𝑠)𝑖
𝑖

Isotope Mass Abundance

24Mg = 23.99 amu × 78.70/100 = 18.88 amu

25Mg = 24.99 amu × 10.13/100 = 2.53 amu
26Mg = 25.98 amu × 11.17/100 = 2.90 amu
Add these three values.
12
Relative atomic mass of Mg = 24.31 amu
Mg
24.31

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 Mass spectrometry – time of flight
➢ Allows separation of atoms, ions and fractions of molecules based on their mass.
➢ Identify unknown compounds.
➢ Gain information about structure and chemical properties of molecules.
➢ Determine the abundance of each isotope in an element.
➢The mass-to-charge ratio of
ions are measured.
➢Ionisation.
➢Acceleration.
➢Deflection.
➢Detection.

Image credit: Chemistry 2e Openstax

https://openstax.org/apps/image-
cdn/v1/f=webp/apps/archive/20230620.181811/res
ources/be7348afdde7a17ba4d9d33c39887be44aff
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Mass spectrometry – time of flight
➢ Ionisation – done under vacuum to remove air molecules.
➢ Gaseous atoms/molecules are bombarded with high energy electrons to form +1 ions.

➢ Acceleration
➢ Positive ions are accelerated using an electric field to give them the same kinetic energy.
➢ Particle velocity will depend on its mass.
➢ Lighter particles will have a higher velocity.
➢ Heavier particles will have a lower velocity.
➢ Deflection ➢ Detection
➢ The ions are deflected by a magnetic field. ➢ The magnetic field is gradually increased to allow
➢ Ions are sorted according to mass: detection of lighter particles, and then heavier
➢ Lighter particles – deflected more. particles
➢ Heavier particles – deflected less.
 Atomic Emission Spectra – let’s find out more…
➢ Light emitted when atoms are heated is a stream of particles called photons:
➢ is a packet of energy known as a quantum.
➢ travels at the speed of light as an energy wave.
➢ has the characteristics of both a particle and a wave.
➢ The energy of a photon is directly proportional to its frequency, and its wavelength.
➢ When this light passes through a prism, an atomic emission spectrum is produced.

➢ has a distinctive pattern specific to the particular element.

➢ Provides evidence for the presence of ‘energy levels’ in atoms – electrons are organised in these energy levels.
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 Electron energy levels and quantum numbers
➢ Principal quantum numbers (n) (n = 1, n = 2 . . ., n =7 )
➢ This defines the location of the energy level/shell.
➢ Electronic transition is when an electron moves from one
energy level to another.
➢ From a lower to a higher level – energy is absorbed. (a
photon).
➢ From a higher to a lower level – energy is released. (a
photon).
➢ Released photons can be visualized in an atomic emission
spectrum – see barium example.

https://openstax.org/apps/image-
cdn/v1/f=webp/apps/archive/20230620.181811/resou
rces/78f00a2498c59495888e0e56f2c836ad8d08a9c4

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 Energy levels – electrons – how are they organised?
➢ Each energy level is assigned a principle quantum number, n, (n = 1, 2, 3… 7)
➢ Each energy level can contain a maximum number of electrons 2n2

➢ The electrons within each energy level are arranged in sub-levels/orbitals.

➢ The shape of these are defined by the angular momentum quantum number, l , where:
l = 0, 1… n − 1.
➢ An atomic orbital is the 3D area within an atom where electrons are most likely to be found.

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 Angular momentum quantum number, l
➢ It is an integer with these possible values: l = 0, 1… n − 1.
➢ An example: second energy level, where n = 2, l , can have the values 0 and 1.
➢ Therefore, there are two types of sub-shells/orbitals in the second energy level.
➢ The values of angular momentum quantum number, l, represent the 3D area in which an electron is
most likely to be found.
➢ For values of 0 to 3, these areas can be defined by letters, s, p, d and f, and shapes.

Angular momentum quantum number, l Letter used to define shape.

0 s, spherical in shape
1 p, peanut or dumbbell in shape
2 d, daisy in shape
3 f, complex shape

➢ Let’s look at these shapes in more detail…

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 s-orbital
➢ Consider the simplest element – hydrogen.
➢ One atom contains one electron whose position
can be theoretically mapped at regular intervals,
3D image.
➢ This ‘orbital’ is spherical in shape, and is close to
the nucleus of the atom.
➢ Since n = 1, and l = 0, this can be represented as
1s.
➢ This orbital can hold two electrons at the most.

➢This shape represents the 3D area most likely to find an electron.

➢There is one s-orbital in each energy level. This can be explained by
the third quantum number, magnetic quantum number, ml
➢This will be expanded on in later slides.

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 p-orbital
➢ Let’s consider the element lithium, which has three electrons.
➢ Two electrons can be found in the 1s orbital, in the energy level, n = 1, l = 0 .
➢ A 3D image of where the third electron is likely to be found is peanut in shape,
with two lobes as shown.
➢ There are three p-orbitals in energy level n = 2, and in each subsequent energy
level.
➢ Each p-orbital can hold up to two electrons, so six in total.

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 p-orbital and magnetic quantum number, ml
➢ The magnetic quantum number describes the orientation in space of each specific
orbital.
ml = −ℓ, −(ℓ − 1), …, 0, …, (ℓ − 1), ℓ.
➢ For Li, where n = 2, ℓ = 1 (2p) ml = −1, 0, 1 so three p-orbitals.
➢ These can be drawn as shown aligned along the xyz axes.
➢ These orientations are useful in describing covalent bonds – we will do this in Week 3.

➢ Make sure you can draw and label these p-orbitals.

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 d-orbital – found from energy level n = 3
➢ The third energy level contains one 3s, and three 3p orbitals.
➢ A third sublevel is also introduced – 3d.
➢ This sublevel contains five d-orbitals, with a daisy-like shape.
➢ Each d-orbital can contain a maximum of two electrons, so ten
electrons in total.
➢ You should be able to recognize the shape, and names of these orbitals.
➢ You will not be expected to draw them.

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 d-orbital – found in energy level n = 3 (and n = 4…)
➢ Let’s rationalise this information using quantum numbers.
When n = 3 ℓ = 0, 1 and 2 (3s, 3p and 3d)
When ℓ = 2 (3d) ml = -2, -1, 0, 1 and 2 five orbitals.
Two electrons per orbital (explained by spin quantum number – later)

Principle quantum number, n, where n = 1, 2 …, 7.

Angular momentum quantum number, l , where l = 0, 1… n − 1.
Magnetic quantum number, ml, where ml = −ℓ, −(ℓ − 1), …, 0, …, (ℓ − 1), ℓ.

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 Energy level n = 4
➢ The fourth energy level contains four sublevels, 4s, 4p, 4d, and 4f.
➢ There is one 4s orbital, three 4p orbitals, five 4d orbitals.
➢ There are seven 4f orbitals.
➢ Each f-orbital can contain a maximum of two electrons, so fourteen
in total.
➢ The shapes of these orbitals are complex and you do NOT need to
draw or label these.
➢ Click on this link if you are interested in seeing what they look like.
➢ Let’s summarise and expand on all this information…

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 Summary
➢ You should be able to explain this information with reference to the first three
quantum numbers, principle, angular momentum and magnetic. Try Now…

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 Fourth quantum number, spin, ms
➢ On close examination, simple atomic emission spectra indicate some
lines are not single, but closely spaced double lines.
➢ A fourth quantum number was proposed, spin quantum number, ms.
➢ Each orbital can hold a maximum of two electrons, with each electron
spinning on its axis, and generating a magnetic field.
➢ Two electrons in the same orbital must have opposite spins, which
cancel each other out, where:
1 1
ms = − or
2 2
➢ This is known as the Pauli exclusion principle.

➢The electrons can be represented using

arrows.
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 Pauli exclusion principle: Four quantum numbers.
➢ In
an atom, each electron can be described by four quantum numbers.
➢ No two electrons can have the same set of four quantum numbers.
➢ Two electrons can be found in the same orbital where:
(n, l and ml are the same) but…
1 1
ms can be or −
2 2
➢ Simple example: helium, atom He, Z = 2, contains two electrons.
1. Principle quantum number, n = 1 (first energy level)
2. Angular momentum quantum number, l = 0 s-orbital
3. Magnetic quantum number, ml = 0
1 1
4. Spin quantum number, ms = or −
2 2

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 Four quantum numbers - summary.
Name Symbol Allowed values Physical meaning
Principle quantum n 1, 2, …, 7. The location of the
number shell/energy level.

Angular l 0≤1≤n Subshell, the shape

momentum of the orbital.
quantum number
Magnetic ml −ℓ, −(ℓ − 1), …, 0, …, (ℓ − 1), ℓ. Orientation of the
quantum number orbital in 3D space.

Spin quantum ms 1
or −
1
Direction of the
2 2
number quantum ‘spinning’
of the electron.
 Number of electrons in sub-levels
Spin quantum number, ms. Defines two electrons per orbital.

Principle quantum
number, n.

Angular
momentum
quantum number,
l.

Magnetic quantum
number, ml.

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 Orbital diagrams: show how electrons are arranged within atom
➢ Do you know why it is important to know the electron
arrangement of an atom?
➢ Because the outer/valence electrons define the
reactivity of the atom!
➢ Each orbital is represented by a box which can hold
two electrons.
➢ Each electron is represented by an arrow, up/down
indicating opposite spin.
➢ Orbitals are filled in order of increasing energy.
➢ Aufbau principle.
1s < 2s < 2p < 3s < 3p < 4s < 3d < 4p

➢ Note: 4s before 3d – exceptions apply.

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Orbital diagrams – Hund’s rule of maximum multiplicity
➢ Within a sub-level with > 1 orbital
➢ One electron is placed in each orbital with parallel spin.
➢ Then, the electrons are paired.
➢ Note that when there are more than one orbital
within a sub-level, these orbitals have the same
energy – degenerate.
➢ Look at the example for carbon…
➢ Note how this diagram below relates to the orbital
diagram on the right.

degenerate

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Electron configuration – simpler than orbital diagram
➢ The lowest energy sublevel is written first, then sublevels with increasing
energies.
➢ The number of electrons in each sublevel is written as a superscript.

➢ You will be expected to write electron configurations for elements up to

and including row 4 of the periodic table.
➢ Remember – the number of electrons in an atom is equal to the atomic number, Z.
➢ Let’s look at some examples:
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Orbital diagrams and electron configuration
➢ Hydrogen and helium occupy the
first row of the periodic table.
➢ Look below for the next four
elements.

➢ The noble gas at the

end of each previous
row can be used to
abbreviate the
electron
configuration.

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Special cases: n = 4, > 18 electrons
➢ >18 protons in an atom, energy of the 4s orbital becomes lower than the 3d orbital.
➢ So 4s orbital fills BEFORE the 3d orbital.
➢ For example:
Iron (Fe) z = 26 Germanium (Ge) z = 32
1s2 2s2 2p6 3s2 3p6 4s2 3d6 1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p2
[Ar] 4s2 3d6 [Ar] 4s2 3d10 4p2

Special cases: Exceptions to:

➢ 3d5 or 3d10 orbital and 4s1 orbital is MORE STABLE than… 4s2 orbital and 3d4 or 3d9
Eg Chromium (Cr), 24 electrons [Ar] 4s1 3d5 NOT [Ar] 4s2 3d4
Eg Copper (Cu), 29 electrons [Ar] 4s1 3d10 NOT [Ar] 4s2 3d9
Positive (+ve) and negative (-ve) ions
➢ Formed when electrons are lost (cation) or gained (anion).
➢ When +ve ions are formed, electrons are removed from the HIGHEST energy orbitals
➢ When -ve ions are formed, electrons are added to the HIGHEST energy orbitals
 Elements in the same group
have the same number of p-block
outer/valence electrons
Valence electron
s-block d-block Columns in p-orbital
Valence é in Last electron or groups
s-orbital added goes
into d-orbital
Rows or
periods
Elements in the
same period have
the same number
of energy levels
containing
electrons f-block
Last electron added
goes into f-orbital
 Group number and valence electrons
➢ For elements in the s- and p-blocks, the valence electrons are related to
the group number of the element.
➢ Remember, valence electrons are those in the outer energy level.
➢ The valence electrons determine the chemical properties and
reactivity of an element.
➢ For example, phosphorus has five valence/outer electrons.

➢ P Group 15 1s2 2s2 2p6 3s2 3p3

inner electrons
➢ Some periodic tables will number the groups differently: Be aware of this.

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 Group number and valence electrons
➢ All the elements in a group have the same number of valence electrons.
➢ This means that they have similar chemical reactivity.

➢ Look at the examples

showing valence
electrons for some
selected elements.

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 Electromagnetic forces act on an electron in an atom.
➢ Opposite charges attract (+ve protons and –ve electrons).
➢ Like charges repel (–ve electrons and –ve electrons).
➢ Electrons further from the nucleus are attracted more weakly than
electrons close to the nucleus.
➢ Densely packed inner electrons in full energy levels strongly repel outer
electrons.
➢ They can act as a ‘shield’, hiding the nucleus and the attractive force of the
+vely charged protons from the outer electrons.
➢ This leads to a concept called ‘effective nuclear charge’.
➢ This concept can be used to explain some periodic trends:
➢ Atomic radius, ionisation energy, electronegativity…
 Shielding and effective nuclear charge
➢ Effective nuclear charge is…
➢ Net charge on nucleus after allowing for electrons in full energy levels around
nucleus, shielding its full charge.
➢ Across period 1.
H atom – nuclear charge (+1). He atom – nuclear charge (+2).
1s1 – 1 electron – no forces of repulsion. 1s2 – 2 electrons – repel each other slightly.
Effective nuclear charge for electron is (+1). Effective nuclear charge for each electron is
slightly less than (+2).

➢ Across period 2.
Li atom – nuclear charge (+3).
1s2 2s1 – 3 electrons.
Outer 2s electron strongly repelled by inner 1s2 electrons. Li
Nucleus is shielded by full shell of inner electrons.
Effective nuclear charge for outer electron is (+1).
 Shielding and effective nuclear charge
➢ Across period 2 – more complicated.
Be atom – nuclear charge (+4).
4 electrons – 1s2 2s2
Outer 2s electrons strongly repelled by inner 1s2 electrons.
Nucleus is shielded by full shell of inner electrons. Be
Outer 2s electrons repel each other slightly.
Effective nuclear charge is slightly less than (+2).

B atom – nuclear charge (+5).

5 electrons – 1s2 2s22p1
Outer 2p electron strongly repelled by inner 1s2 electrons.
B
Nucleus is shielded by full shell of inner electrons.
Outer 2s electrons repel 2p1 electron.
Effective nuclear charge is significantly less than (+3).
 Effective nuclear charge and atomic radius.
➢ Effective nuclear charge increases across the table.
H (+1) He <(+2)
Li (+1) Be <(+2) B <<(+3)
➢ Outer electrons are more strongly attracted to the nucleus, as we go across
the periodic table.
➢ Outer electrons become closer to the nucleus.
➢ Atomic radius (size) is defined by the distance
between the nucleus and the outermost
electron.
➢ As effective nuclear charge increases, atomic
radius decreases.
➢ Atomic radius decreases across the periodic
table.
 Shielding and effective nuclear charge
➢ Let’s consider the trend DOWN group by comparing...
Sodium (n = 3) Potassium (n = 4)
z = 11 [1s2 2s22p6]3s1 z = 19 [1s22s22p63s23p6]4s1
Nuclear charge is (+11). Nuclear charge is (+19)
10 inner electrons shield outer electron 18 inner electrons shield outer electron
Effective nuclear charge is (+1). Effective nuclear charge is (+1).
➢ Effective nuclear charge down group does not change.
➢ But, the outer electron becomes further from the nucleus. (Compare principle
quantum number.)
➢ Potassium is larger than sodium.
➢ The outer electron in potassium is held less strongly compared to sodium.
➢ Atomic radius increases down the group.
 Ionic Size - cations
➢ A +ve ion (cation) is ALWAYS smaller than its neutral atom.
➢ When an atom loses all its valence electrons, the number of electron shells
decreases – the outer electrons are closer to the nucleus.
➢ There is less electron-electron repulsion so the electrons are pulled closer
to the nucleus and the radius is smaller.

Ionic Size - anions

➢ A -ve ion (anion) is ALWAYS larger than its neutral atom.
➢ When an atom gains an electron, there is more electron-electron repulsion
so the radius is larger.
Ionic Size – same electron configuration
➢ For ions with the same electron configuration, the ion with the
greatest charge has the SMALLER radius.
➢ Compare Na+ and Al3+
➢ Both have 10 electrons.
➢ Al3+ has the biggest charge
➢ Greater force of attraction of valence electrons to nucleus, so Al3+ is
smaller.
 Ionisation Energy
➢ First ionisation energy is the energy required to remove one
electron from the ground state of each atom of a mole of
gaseous atoms of that element.
➢ First ionisation energy is always +ve
➢ Energy is required to disrupt the attraction between the
–ve electron and +ve nucleus.

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 Second Ionisation Energy
➢ Second ionisation energy is the energy required to remove
one electron from the ground state of each ion of a mole of
gaseous ions of charge +1 of that element.
➢ Second ionisation is always greater than first ionisation
energy
➢ Think about the reason for this…
➢ The same number of protons is attracting a smaller number
of electrons, so the nucleus pulls them closer.
➢ This means a +ive ion is smaller than the original atom.
➢ Greater force of attraction of outer electron to nucleus.
➢ More energy is required to remove it.
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 Ionisation Energy – periodic trend
➢ Metals have 1–3 valence electrons.
➢ Lower ionisation energies.
➢ Nonmetals have 5–7 valence electrons.
➢ Higher ionisation energies.
➢ Noble gases have the highest ionisation
energies in a period.
➢ Complete octets – 8 electrons in outer
shell
➢ Apart from He, (2 valence electrons).
WHY – let’s consider the factors affecting the size of the
ionisation energy…
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 Factors affecting ionisation energy
➢ Electrons are attracted to the positive protons in the nucleus.
➢ Electrons further from the nucleus are attracted less than
electrons close to the nucleus.
➢ It takes less energy to remove electrons which are further from
the nucleus – less attractive force to overcome.
➢ Therefore: the larger the atomic radius, the smaller the ionisation
energy.
➢ Look at the trend and
link this to the
reasoning.

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 Ionisation Energy – evidence for shells
➢ We can look at the trend in ionisation energy by removing all electrons in an
atom.
➢ Let’s look at oxygen – 8 electrons
➢ Note the gradual increase from 1st to 6th
electron as these are valence electrons in 2s
and 2p orbitals – the same shell.
➢ Note the large increase between 6th and
7th electron as this electron is removed
from a different shell.
➢ Closerto the nucleus.
➢ Much harder to remove.
➢ More energy required.
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 Electronegativity
➢ The extent to which an atom attracts electrons to itself in a
covalent bond.
➢ Same trend as atomic radius – they are related.
➢ Increases across a period as…
➢ Number of protons increases.
➢ Atomic radius decreases.
➢ Electrons in same shell pulled in
more – effective nuclear charge.
➢ This will be discussed in more
detail when we look at chemical
bonding.
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 Electron affinity
➢ Energy change when one electron is added to each atom
in a mole of gaseous atoms.

➢ EA1 is often negative – exothermic – energy is released.

➢ Negatively charged electron is brought towards positively charged
nucleus.
➢ Energy is released when they are brought together.

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 Second electron affinity
➢ Energy change when one electron is added to each anion
in a mole of gaseous anions.

➢ EA2 is positive – endothermic.

➢ Negatively charged electron is brought towards negatively charged
ion.
➢ Energy is required to bring them together

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 Electron affinity, EA
➢ EA tends to become more negative going across the row.
➢ Due to increase in effective nuclear charge.
➢ There are exceptions
which can be
understood by
considering electron
configurations.
➢ We don’t need to
consider those for this
module.

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