Unit 1 Kinetic Molecular Theory and Atomic Theory (HL)

Student Notes

For clarification about the syllabus, this is what each box means:

Bold italic text = understandings (the ‘content’)

Normal text = outcomes of learning and clarification of requirements/parametres of the skills/understanding
needed.

Structure 1.1 - Introduction to the particulate nature of matter

SL & AHL
Structure 1.1.1 - Elements are the primary constituents of matter, which cannot be chemically broken
down into simpler substances.

Compounds consist of atoms of different elements chemically bonded together in a fixed ratio.
Mixtures contain more than one element or compound in no fixed ratio, which are not chemically bonded
and so can be separated by physical methods.
Distinguish between the properties of elements, compounds and mixtures.
Solvation, filtration, recrystallization, evaporation, distillation and paper chromatography should be covered.
The differences between homogeneous and heterogeneous mixtures should be understood.

Elements, Compounds and Mixtures

Elements are pure substances made from one kind of atom. Compounds are made from two or more elements
chemically bonded together. Elements take part in chemical reactions in which new substances are made in
processes that most often involve an energy change. In these reactions, atoms combine together in fixed ratios
that will give them full outer shells of electrons, producing compounds. The properties of compounds can be
quite different from the elements that form them.

In a mixture, elements and compounds are interspersed with each other, but are not chemically combined.

This means the components of a mixture retain the same characteristic properties as when they are in their
pure form.

So, for example, the gases nitrogen and oxygen when mixed in air, retain the same characteristic properties as
they would have if they were separate.

Homogeneous and heterogeneous mixtures

A mixture is composed of two or more substances that are not chemically combined, meaning that each
substance retains its original properties. Mixtures can be classified as homogeneous or heterogeneous. A
homogeneous mixture has the same composition throughout, whereas a heterogeneous mixture has a
non-uniform composition.

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A key feature of all homogeneous mixtures is that, although the different components are not chemically
combined, they do not separate physically on standing. The air that we breathe is a homogeneous mixture
composed of gases such as nitrogen, oxygen and argon. The separate components that make up air are not
chemically combined, therefore they keep the same characteristic properties as the pure elements. The
oxygen in air, for example, is necessary for substances to undergo combustion. The different gases in air can be
separated by a physical method. Each different component has its own boiling point, which means that the
gases can be separated by fractional distillation.

Solutions are examples of homogeneous mixtures. They are composed of a solute dissolved in a solvent. The
majority of solutions that we come across in the chemistry laboratory consist of a solid solute dissolved in a
liquid solvent, usually water. The amount of solute dissolved in a known volume of a solution is the
concentration of the solution. Examples of solutions, together with the phases of the components of the
mixture, are given here:

● Solid/solid – alloys, such as steel (iron and carbon),

● Solid/liquid – seawater (a range of salts in water), sodium hydroxide (aq), copper sulfate solution.
● Liquid/liquid – wine (ethanol and water), vinegar (ethanoic acid in water). Liquids that form a
homogeneous mixture are said to be miscible.
● Gas/liquid – carbonated (fizzy) drinks (carbon dioxide and water), hydrochloric acid (hydrogen chloride
in water).

Interestingly, when an alcohol such as ethanol is mixed with water, the final
volume, known as the resultant volume, is less than the sum of the individual
volumes of the ethanol and the water. This is caused by the close packing of
the ethanol and water molecules when they are mixed together.

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A heterogeneous mixture has a non-uniform composition. Unlike a homogeneous mixture, a heterogeneous
mixture will separate into two separate layers on standing. An example of a heterogeneous mixture is oil and
water. The two phases in the mixture of oil and water are clearly visible, with the less dense oil floating on top
of the water. Oil and water are said to be immiscible, a term used to describe two liquids that form a
heterogeneous mixture.

Linking question: Structure 2.2 - How do intermolecular forces influence the type of mixture that forms
between two substances?

Linking question: Structure 2.3 - Why are alloys generally considered to be mixtures, even though they often
contain metallic bonding?

Skills: Tool 1 - What factors are considered in choosing a method to separate the components of a mixture?

The separation techniques of filtration, evaporation, distillation and chromatography should be reviewed
prior to continuing.

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Skills: Tool 1 - How can the products of a reaction be purified?

Purification of a solid product in an organic reaction may be done by RECRYSTALLISATION.

Recrystallization, also known as fractional crystallisation, is a procedure for purifying an impure compound in a
solvent. The method of purification is based on the principle that the solubility of most solids increases with
increased temperature. This means that as temperature increases, the amount of solute that can be dissolved
in a solvent increases.

An impure compound is dissolved (the impurities must also be soluble in the solvent), to prepare a highly
concentrated solution at a high temperature. The solution is cooled. Decreasing the temperature causes the
solubility of the impurities in the solution and the substance being purified to decrease. The impure substance
then crystallises before the impurities- assuming that there was more impure substance than there were
impurities.

The impure substance will crystallise in a purer form because the impurities won't crystallise yet, therefore
leaving the impurities behind in the solution. A filtration process must be used to separate the more pure
crystals at this point. The procedure can be repeated. Solubility curves can be used to predict the outcome of a
recrystallization procedure.

The slower the rate of cooling, the larger the crystals are that form. The disadvantage of recrystallization is
that it takes a long time. Also, it is very important that the proper solvent is used. This can only be determined
by trial and error, based on predictions and observations. The solution must be soluble at high temperatures
and insoluble at low temperatures. The advantage or recrystallization is that, when carried out correctly, it is a
very effective way of obtaining a pure sample of some product, or precipitate.

These are the important steps to the recrystallisation process.

1. Dissolve the solute in the solvent: Add boiling solvent to a beaker containing the impure compound.
Heat the beaker and keep adding solvent until the solute is completely dissolved.

2. Cool the Solution: The solution is cooled in open air first, and then cooled in an ice bath. Slow cooling
often leads to purer crystals. Crystals should form on the bottom of the beaker. The process of
"seeding" can be used to aid the formation of crystals- this means adding a pure crystal of the
compound. The pure crystal forms a surface for the solute to crystallise upon.

3. Obtain the crystals from the solute: The purer crystals precipitated from the solute are the desirable
part of the mixture, and so they must be removed from the solvent. The process used for isolating the
crystals that remain in the beaker still is called vacuum filtration. Suction is created using an aspirator,
and whatever remains in the beaker is poured through a Buchner funnel. If for some reason there are
no crystals visible, a gravity filtration can be performed. Activated carbon is added to the solution, the
mixture is boiled, and a funnel system is used to transfer the new mixture to a new beaker of boiling
solvent. Filter paper is used in the funnel to remove excess carbon. After this mixture cools slowly
there should be large crystals present.

4. Dry the resulting crystals: The crystals are dried by leaving them in the aspirator and then by removing
them to a glass dish to wait a while longer. The purity of the crystals can be tested by performing a
"melting point determination".

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 SL & AHL
Structure 1.1.2 - The kinetic molecular theory is a model to explain physical properties of matter (solids,
liquids and gases) and changes of state.

Distinguish the different states of matter. Use state symbols (s, l, g and aq) in chemical equations.
Names of the changes of state should be covered: melting, freezing, vaporisation (evaporation and boiling),
condensation, sublimation and deposition.

SL & AHL
Structure 1.1.3 - The temperature, T, in Kelvin (K) is a measure of average kinetic energy Ek of particles.

Interpret observable changes in physical properties and temperature during changes of state.
Convert between values in the Celsius and Kelvin scales. The kelvin (K) is the SI unit of temperature and has
the same incremental value as the Celsius degree.

Guiding Question: How can we model the particulate nature of matter?

Matter can exist in different states depending on the temperature and pressure. The different physical states
are characterised by the different arrangement and movement of the particles. This is dependent on the
amount of kinetic energy that the particles possess.

ck12 Simulations - States of Matter

ck12 Simulations - Phase Changes

PhET Simulations - States of Matter

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Temperature scales

For any calculations in Chemistry, it is important to use the absolute temperature scale, with the values in
kelvin (K). The Celsius scale is commonly used in scientific and everyday work, but its basis is related to the
physical properties of water (the 'fixed points' of the freezing point and the boiling point). The size of a
'degree' on both scales is the same, so it is easy to convert between the two. To convert from oC to K, add 273;
for example, 25oC is equal to 298 K.

The Kelvin scale is an absolute temperature scale. It is an absolute unit of measurement, so the values can be
manipulated algebraically. For example, doubling the temperature on this scale means that the average kinetic
energy of the particles in the sample is also doubled. The average kinetic energy of the particles is
proportional to the absolute temperature. This is the reason why the Kelvin scale is used as the standard
measurement of temperature in science.

Absolute zero (0 K) is the lowest possible temperature on the Kelvin scale. At absolute zero the motion of
particles is minimal. At this point, a substance has no transferable heat energy. Also, at this temperature, an
ideal gas at constant pressure would reach zero volume.

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 Particles closely packed Particles slightly more spread out Particles very spread out

Strong forces between particles, Weaker forces between particles, Negligible forces between
they vibrate about fixed positions. they can move past each other. particles, they move randomly

Fixed shape Take shape of container No fixed shape

Fixed volume Fixed volume No fixed volume

Changes of state

Changes of state at constant pressure are directly related to changes in temperature. An increase in
temperature causes an increase in the average kinetic energy of the particles in a substance. When heated,
the particles gain kinetic energy and are able to overcome the intermolecular forces that exist between them,
which results in a change of state.

Linking question: Structure 2.4 - Why are some substances solid and others are fluid under standard
conditions?

The changes of state are summarised below.

Change of State Description Energy absorbed or released

Sublimation Solid to gas with no liquid state Absorbed

Deposition Gas to solid with no liquid state Released

Evaporation Liquid to gas Absorbed

Boiling Liquid to gas Absorbed

Condensation Gas to liquid Released

Freezing Liquid to solid Released

Melting Solid to liquid Absorbed

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Note that in sublimation, a substance changes directly from a solid to a gas with no liquid state. Examples of
substances which undergo sublimation at atmospheric pressure include iodine, carbon dioxide and ammonium
chloride. The reverse process is deposition, when a gas changes directly into a solid with no liquid state.

Evaporation, like boiling, results in the change of a liquid to a gas. However, evaporation differs from boiling in
that it takes place only at the surface of a liquid and can occur at temperatures below the boiling point of the
liquid. Boiling occurs at a specific temperature and takes place throughout the liquid. Bubbles of gas are
formed within the liquid, not only at the surface.

Heating and cooling curves

Heating and cooling curves can be produced by either heating a solid, or by freezing a liquid and observing the
temperature change. This is a very good introduction to data-logging using a temperature sensor. Stearic acid
is a suitable solid to use as it has a relatively low melting point. The curve produced is similar to that shown
here.

In the upward sloping regions, the temperature increases as the substance is heated. The kinetic energy of the
particles increases and they vibrate or move faster. However, during the changes of state, the temperature
remains constant. At these points, the energy is being used to overcome the intermolecular forces that exist
between the particles.

During melting, the energy input is being used to overcome the intermolecular forces that hold the particles in
the solid in fixed positions. During boiling, the energy input is being used to overcome the intermolecular
forces that hold the particles in the liquid together. This explains why, during a change of state, the
temperature remains constant. Once the change of state is complete, the temperature then starts to increase
once again.

Linking question: Reactivity 1.2 - Why are some changes of state endothermic and some exothermic?
Linking question: Reactivity 2.2 - What is the graphical distribution of kinetic energy values of particles in a
sample at a fixed temperature?

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Structure 1.2 - The nuclear atom

SL & AHL
Structure 1.2.1 - Atoms contain a positively charged, dense nucleus composed of protons and neutrons
(nucleons). Negatively charged electrons occupy the space outside the nucleus.

Use the nuclear symbol ZAX to deduce the number of protons, neutrons and electrons in atoms and ions.
Relative masses and charges of the subatomic particles should be known; actual values are given in the data
booklet. The mass of the electron can be considered negligible.

Guiding Question: How do the nuclei of atoms differ?

Bohr Model of the Atom

Niels Bohr, a Danish physicist, pictured the hydrogen atom as a small ‘solar system’ with an electron moving in
an orbit or energy level around the positively charged nucleus of one proton. The electrostatic force of an
attraction between the oppositely charged subatomic particles prevents the electron from leaving the atom.

The existence of neutrally charged neutrons is crucial for the stability of nuclei of later elements, which have
more than one proton. Without the neutrons, the positively charged protons would mutually repel each other
and the nucleus would fall apart.

● Subatomic particles

Relative mass Relative charge Position

Protons 1 +1 nucleus
Neutrons 1 0 nucleus
Electrons 5x 10-4 -1 energy levels

● Nucleons = subatomic particles in the nucleus (protons and neutrons)

● Mass number (A) = protons + neutrons

● Atomic number (Z) = Number of protons in the nucleus. Defines which element atom belongs to.

● Charge (n) = Atoms have no charge, but may gain or lose electrons to become charged. They are called
ions.

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 SL & AHL
Structure 1.2.2 - Isotopes are atoms of the same element with different numbers of neutrons.

Perform calculations involving non-integer relative atomic masses and abundance of isotopes from given
data.
Differences in the physical properties of isotopes should be understood.
Specific examples of isotopes need not be learned.

● Isotopes = Two or more atoms of the same element which have the same numbers of protons but have
different numbers of neutrons. This results in them having the same atomic numbers, but different
mass numbers. E.g. 612C and 614C.

● Relative Atomic Mass = The average mass of all the isotopes of an element compared to an atom of
carbon-12.

● Physical properties of isotopes are different due to the different masses (eg m.pt, b.pt, diffusion rate)

● Chemical Properties of isotopes are identical as they have the same electronic configuration/same
number of electrons in the outer shell

● A radioisotope is an atom with an unstable nucleus which undergoes radioactive decay, and emits a
gamma ray and/or an alpha particle or beta particle.

● Radioisotopes are used in nuclear medicine for diagnostics, treatment and research, as medical tracers
in biochemical and pharmaceutical research, and as “chemical clocks” in geological and archaeological
dating (radiocarbon dating).

● PET (positron emission tomography) scanners give three-dimensional images of tracer concentration in
the body, and can be used to detect cancers.

A radioactive tracer is injected into the bloodstream, which is then absorbed by active tissues of the
brain. The PET scanner detects photons emitted by the tracer and produces ‘slice’ images.

cK12 Simulations - Atom Builder

PhET Simulations - Build an Atom

Linking question: Structure 1.3 - What determines the different chemical properties of atoms? Linking
Question: Structure 3.1 - How does the atomic number relate to position of an element in the periodic
table?
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The relative abundance is often given as percentages. Using these abundances and the masses of the isotopes
the Relative Atomic Mass can be calculated:

Example: Neon is made of 90% 20Ne and 10% 22Ne.

Total mass of 100 atoms = (90 x 20) + (10 x 22) = 2020

Average mass of 100 atoms = 2020/100

Relative atomic mass of Ne = 20.2

If the relative atomic mass of an element with two isotopes is known then the abundance of each isotope can
be determined.

Example

The relative atomic mass of chlorine is given as 35.45 on the Periodic Table. Chlorine is known to consist of
two isotopes, chlorine-35 and chlorine-37. Calculate the % abundance of each isotope.

Relative atomic mass = total mass of sample /100 = 35.45

= (a x 35) + (b x 37) /100 = 35.45

We also know that a + b = 100 (since % must add to 100)

Solve using simultaneous equations:

35a + 37b = 3545 and a = 100 – b

So 35(100 – b) + 37b = 3545

3500 – 35b + 37b = 3545

2b = 45 therefore b = 22.5%

a = 100 – b therefore a = 77.5%

Sample contains 77.5% chlorine-35 and 22.5% chlorine-37

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Additional higher level: 1 hour

AHL
Structure 1.2.3 - Mass spectra are used to determine the relative atomic masses of elements from their
isotopic composition.

Interpret mass spectra in terms of identity and relative abundance of isotopes. The operational details of
the mass spectrometer will not be assessed.

Relative Atomic Mass

A mass spectrum can be used to determine the abundance of isotopes in an element, and from this to work
out the relative atomic mass of the element.

E.g 1 - The mass spectrum for copper

Copper has two isotopes of relative isotopic masses 63 & 65

The relative abundance is found by measuring the lines on the stick diagram

In this case the two isotopes and their relative abundances are:

Copper-63 69
Copper-65 31

The relative atomic mass can then be calculated from this data:
Suppose you had 100 typical atoms of carbon. 69 of these would be 69Cu and 31 would be 65Cu.
The total mass of these 100 atoms = (63 x 69) + (65 x 31) = 6362
The average mass of these 123 atoms = 6362 / 100

Relative atomic mass = 63.62 (to 4 sig figs).

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Interpret the following mass spectra to determine the RAM of the elements to 4 significant figures:

Bromine:

Magnesium:

Further practice in calculating relative atomic masses from isotopic abundances can be found in the following
simulations:

PhET Simulations - Isotopes and Atomic Masses

cK12 Simulations - Average Atomic Mass

Gizmos - Average Atomic Mass

Nature of Science, Reactivity 3.4 - How can isotope tracers provide evidence for a reaction mechanism?
Linking Question: Structure 3.2 - How does the fragmentation pattern of a compound in the mass
spectrometer help in the determination of it’s structure?

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Structure 1.3 - Electron configurations
Standard level and higher level: 3 hours

SL & AHL
Structure 1.3.1 - Emission spectra are produced by atoms emitting photons when electrons in excited
states return to lower energy levels.

Qualitatively describe the relationship between colour, wavelength, frequency and energy across the
electromagnetic spectrum.
Distinguish between a continuous and a line spectrum. Details of the electromagnetic spectrum are given in
the data booklet.

SL & AHL
Structure 1.3.2 - The line emission spectrum of hydrogen provides evidence for the existence of electrons
in discrete energy levels, which converge at higher energies.

Describe the emission spectrum of the hydrogen atom, including the relationships between the lines and
energy transitions to the first, second and third energy levels. The names of the different series in the
hydrogen emission spectrum will not be assessed.

Guiding question: How can we model the energy states of electrons inside atoms?

Skills: Inquiry 2—In the study of emission spectra from gaseous elements and of light, what qualitative and
quantitative data can be collected from instruments such as gas discharge tubes and prisms?

Nature of science, Structure 1.2—How do emission spectra provide evidence for the existence of different
elements?

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Practical A - Flame Tests

Instructions

1. Set up 7 test tubes in a rack.

2. Put about a quarter of a test tube of each of the
following six metal solutions into the test tubes.
(lithium, sodium, potassium, calcium, barium and
copper)
3. Clean a piece of nichrome wire by holding it into a
roaring bunsen flame for a few seconds.
4. Dip the nichrome wire into one of the metal solutions.
Then quickly hold it into the roaring bunsen flame.
Repeat this several times and note down the colour of
the flame.
5. (Your teacher may get you to use solid samples instead
of solutions)
6. Before repeating this procedure with the other metal solutions the nichrome wire must be
thoroughly cleaned by dipping it into hydrochloric acid and holding back into the flame several
times.
7. Repeat with the other metal solutions.
8. Record your results in the following table.

Analysis/conclusion

1. When the metal atoms are put into the flame, the energy causes the electrons to become excited.
What happens to the electrons?

2. Explain why light is then released by the atoms.

3. Into which energy level do electron transitions cause emission of visible light?

4. Why do different atoms give different colours?

Extension
5. What is the difference between a continuous spectrum and a line spectrum?
6. Sketch the key features in the visible region of the hydrogen line spectrum.
7. What is convergence?
8. Similar spectra are produced when electrons drop into other energy levels. Why can’t we see them?

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Evidence

Evidence for energy levels comes from line emission spectra (related to flame tests). The electromagnetic
spectrum is the distribution of electromagnetic radiation according to their energies.

Energy α frequency and frequency α 1/wavelength

White light is made up of all the colours of the spectrum. When passed through a prism, white light will be
split into a continuous spectrum containing all possible wavelengths (or frequencies).

When energy is supplied to a particular element it will emit a spectrum containing only certain lines at
particular wavelengths. Each element has its own characteristic spectrum of discrete (separate) lines called a
line spectrum.

When electrons in an atom are excited, they move from their lowest energy level (called the ground state) to a
higher energy level.

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When the electron drops back into a lower shell, they emit energy of a specific wavelength and this causes a
line on the spectrum.

● The largest drops in energy are back into the lowest energy level, n =1. This causes a line spectrum in
the ultraviolet region.

● When an electron drops back into the n = 2 level this causes a line in the visible region of the line
spectrum.

● Electrons dropping into the n = 3, 4, 5 etc energy levels cause lines in the infrared region of the line
spectrum.

● Convergence: Notice how as the energy levels get higher, they get closer together. This causes the lines
in the spectrum to converge and corresponds to the frequency of the Quantum of energy.

● The lines will be more separated in the red side of the spectrum and then will get closer (converge)
towards the higher energy violet region.

● This convergence is due to the energy levels becoming closer together.

● Each element will have slightly different energy levels and so will be produce a slightly different line
spectrum

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 SL & AHL
Structure 1.3.3 - The main energy level is given an integer number, n, and can hold a maximum of 2n2
electrons.

Deduce the maximum number of electrons that can occupy each energy level.

SL & AHL
Structure 1.3.4 - A more detailed model of the atom describes the division of the main energy level into s,
p, d and f sublevels of successively higher energies.

Recognize the shape and orientation of an s atomic orbital and the three p atomic orbitals.

SL & AHL
Structure 1.3.5 - Each orbital has a defined energy state for a given electron configuration and chemical
environment, and can hold two electrons of opposite spin.

Sublevels contain a fixed number of orbitals, regions of space where there is a high probability of finding an
electron.
Apply the Aufbau principle, Hund’s rule and the Pauli exclusion principle to deduce electron configurations
for atoms and ions up to Z = 36.
Full electron configurations and condensed electron configurations using the noble gas core should be
covered. Orbital diagrams, i.e. arrow-in-box diagrams, should be used to represent the filling and relative
energy of orbitals. The electron configurations of Cr and Cu as exceptions should be covered.

Energy Levels, Sub-Levels & Orbitals

Electrons are arranged in energy levels (shells). The levels have sub-levels. There are 4 types of sub-level: s, p,
d, f. Each sub-level is made up of electron orbitals which can each hold 2 electrons.

The electron orbital is the region or volume where an electron is most likely to be as it is not possible to locate
the exact position of an electron at a given time. (Heisenburg Principle). Each of these orbitals can contain a
maximum of 2 electrons spinning in opposite directions. (Pauli Exclusion Principle)

Within an energy level, s sub-levels are of the lowest energy and occur nearest to the nucleus, then p, d and
finally f.

The first level has one sub-level, the second level has two sub-levels and so on. An s sub-level has one orbital,
p has three, d has five etc

Sub-levels begin to overlap at higher levels! (see later for a way to work out the order)

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 ● Each of these sub-levels have orbitals of a different shape.

● The single s-orbital is spherical. There are 3 p-orbitals all of equal energy. They are dumbbell shaped
and arranged along the x, y and z axis so that they don’t overlap each other. The d and f orbitals
become more complex in shape.

Number of orbitals in Maximum number of

Sub-level Shape
sub-level electrons in sub-level

s 1 2

p 3 6

d 5 Complicated 10
f 7 Even more complicated! 14

Calculating the amount of electrons in each energy level

Don‘t forget: Each orbital can accommodate 2 electrons. You may have to predict the amount of electrons with
simple nth term mathematics.

If the energy level is n...

n = 1 only contains s orbital (1 total)

n = 2 contains s and px, py, pz orbitals (4 total)

n = 3 contains s and px, py, pz as well as five of the d orbitals in a set (9 total)
What do you notice about the energy levels and the number of orbitals within each?

Number of Orbitals in each energy level = Energy Level (n)2

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Each Orbital holds a maximum of two electrons so...

maximum number of electrons within energy level = 2n2

Energy Level Number of orbitals

Maximum electron occupancy (2n2)
(n) present (n2)

1 1 2
2 4 8
3 9 18
4 16 32

Electron Configuration ( Aufbau Principle and Hund’s Rule)

● When deciding the electron configuration of an atom, 2 rules must be considered:

● The Aufbau Principle states that electrons must be put in the orbitals of lowest energy first.

● Hund’s Rule states that when filling sub-levels, each orbital must contain one electron before pairing
up. (‘seats on the bus’ rule)

● Order of filling sub-levels:

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e.g. First Principle Energy Level (n = 1)

4
2He = 1s2 where 1 = principle energy level
s = sub-level
2 = number of electrons

Second Energy Level (n = 2)

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3 Li = 1s2 2s1

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7 N = 1s2 2s2 2p3

( Each of the p orbitals will contain 1 electron according to Hund’ rule)

These can be represented as an ‘electrons in boxes’ diagrams.

1s 2s 2p

Third Energy Level (n = 3) and Fourth Energy Level (n = 4)

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18 Ne = 1s2 , 2s2 , 2p6 , 3s2, 3p6

When the 3p sub-level is full, the next should be the 3d sub-level and then the 4s sub-level in the next energy
level. However, the 3d sub-level is of slightly higher energy than the 4s sub-level. According to Aufbau, this
means that the 4s sub-level must be filled before the 3d sub-level.

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20 Ca = 1s2, 2s2, 2p6, 3s2, 3p6, 4s2

The next elements are the transition metals. At this point, to save time it is usual to simplify the electron
configuration by using the [X] shorthand to represent the nearest noble gas configuration.

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25 Mn = [Ar] 4s2, 3d5

When the 3d sub-level is full, the 4p sub-level is filled.

70
31 Ga = [Ar] 4s2, 3d10, 4p1

This same trend is continued throughout the periodic table. The s sub-level often the next energy level is
always filled before the d sub-level of the current energy level.

108
47 Ag = [Kr] 5s2, 4d9

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Give the full electron structures for:

Fe

Br

Use the noble gas core notation to write the electronic structures for:

Zr

Cs

Exceptions to the Aufbau principle

There are two important exceptions to the Aufbau principle you need to learn. They are for chromium (Cr)
and copper (Cu).

Predict the electron configurations for Chromium and Copper.

Chromium:

Copper:

However, these are not correct; the correct electron configurations are:

Chromium: 1s2 2s2 2p6 3s2 3p6 4s1 3d5 or 1s2 2s2 2p6 3s2 3p6 3d5 4s1

Copper: 1s2 2s2 2p6 3s2 3p6 4s1 3d10 or 1s2 2s2 2p6 3s2 3p6 4s1 3d10

The reasons for these exceptions are beyond the level of the SL (and HL) course but the high level explanation
is that the half-filled and fully-filled sublevels are more energetically favourable due to an overall lower energy
obtained in these configurations.

Gizmo - electron configuration

Linking question: Structure 3.1—How does an element’s highest main energy level relate to its period
number in the periodic table?

Linking question: Structure 3.1—What is the relationship between energy sublevels and the block nature of
the periodic table?

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Additional higher level: 3 hours

AHL
Structure 1.3.6 - In an emission spectrum, the limit of convergence at higher frequency corresponds to
ionisation.

Explain the trends and discontinuities in first ionisation energy (IE) across a period and down a group.
Calculate the value of the first IE from spectral data that gives the wavelength or frequency of the
convergence limit.
The value of the Planck constant h and the equations E = h f and c = λ f are given in the data booklet.

AHL
Structure 1.3.7 - Successive ionisation energy (IE) data for an element give information about its electron
configuration.

Deduce the group of an element from its successive ionisation data.

Databases are useful for compiling graphs of trends in IEs.

Ionisation Energies

Evidence for the existence of energy levels (and sub-levels – see later) is given by studies in the trends of
ionisation energies within the periodic table.

The first ionisation energy is defined as the energy absorbed when 1 mole of electrons is removed from 1
mole of atoms in its gaseous state, giving 1 mole of positive ions.

M(g) → M+(g) + e-

The size of the first ionisation energy depends on a number of factors:

1. Distance: The greater the distance between the nucleus and the outer most electrons, the less the
attractive force between them, causing a decrease in ionisation energy.

2. Shielding: Shielding (repulsion) by the filled inner levels (and sub-levels) makes the electrons in the
outer level easier to remove, causing a decrease in ionisation energy.

3. Nuclear charge: Nucleus is positively charged due to the protons. Greater the number of protons, the
greater the size of this charge.

4. Electron Pairing: A paired e- is easier to remove than an unpaired e- due to this repelling force.

First Ionisation Energies In The Second Period (Li to Ne) – evidence for sub-levels

24
Sketch the graph of first ionisation energy vs atomic number from Li to Ne

Li ( 2s1 ) to Be ( 2s2 ) = Increase caused by increasing nuclear charge.

No change in distance as outer electron in same sub-level.

Be ( 2s2 ) to B ( 2s2, 2p1 ) = Decrease caused by new sub-level. Greater distance and increase in
shielding outweighs the increase in nuclear charge.

B (2s2, 2p1)to C to N (2s2, 2p3) = Increase caused by increase in nuclear charge and electrons are added to
same sub-level.

N(2s2, 2p3) to O (2s2, 2p4) = Decrease. In 2p3 all e- are unpaired, but in 2p4 there is increased
repulsion between the paired electrons making the paired electron
easier to remove.

O(2s2, 2p4) to F to Ne (2s2, 2p6) = Increase caused by increasing nuclear charge. (all electrons removed
from the same sub-level)

Evidence for levels is obtained from the large decrease in IE from group 18 to group 1 due to increased
distance of the outer electron from the nucleus when a new shell is added.

Quantization of Energy

● The precise lines in the line emission spectra of an element have specific wavelength (λ). Each
characteristic wavelength corresponds to a discrete amount of energy equivalent to the energy
difference between energy levels.

● This is the basis of quantization, the idea that electromagnetic radiation comes in discrete “parcels” or
quanta.

● A photon is a quantum of radiation, and the frequency (v) and energy (E) in J of a photon are related by
the equation:

E = hv

where h = Planck’s constant = 6.63 x 10-34 J s

v = frequency of the radiation (in s-1)

25
The frequency (v) and wavelength (λ) of the radiation are related by the equation:

c=vλ ΟR v=c/λ

where c = speed of light = 3.00 x 108 ms-1

λ = wavelength (in m)

Combining these equations allows us to calculate the energy of a photon from either the frequency or the
wavelength.

E = hv OR E = hc
λ

This equations shows that E is inversely proportional to λ : the greater the energy of the photon, the smaller
the wavelength and vice-versa

Linking question: Structure 3.1—How does an element’s highest main energy level relate to its period
number in the periodic table?

Linking question: Structure 3.1—What is the relationship between energy sublevels and the block nature of
the periodic table?

Worked Example

Determine the energy, in J of a photon of red light, correct to four significant figures, given that:

λ = 650.0 nm h = 6.626 x 10-34 J s c = 2.998 x 108 m s-1

Solution

E = hv or E= hc
λ

E = 6.626 x 10-34 J s x 2.998 x 108 m s-1 = 3.056 x 10-19 J

650.0 x 10-9 m

Example 2

Calculate the first ionisation energy, in kJ mol-1, for hydrogen given that its shortest-wavelength (highest
energy) line in the Lyman series is 91.16 nm.

h = 6.626 x 10-34 J s-1 c = 2.998 X 108 m s-1 NA= 6.022 x 1023 mol-1.

Solution

The shortest-wavelength line in the Lyman series corresponds to a transition of n = ∞ to n = 1.

This represents the ΔE between n = 1 and n = ∞ which is the energy required to ionise a hydrogen atom
26
ΔE = hv or ΔE= hc
λ

ΔE = 6.626 x 10-34 J s x 2.998 x 108 m s-1 = 2.179 x 10-18 J per photon

91.16 x 10-9 m

To convert to per mole , we need to multiply by Avogadro’s constant

ΔE = (2.179 x 10-18 J) x (6.022 x 1023 mol-1)

= 1.312 x 106 J mol-1

= 1312 kJ mol-1

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Practical B - Successive Ionization Energies

Instructions

1. Complete the following table.

Ionisation energy Formula of Magnesium Ionisation Energy Log10 Ionisation Energy

Number Ion (kJ mol-1)

1st 794

2nd 1585

3rd 7943

4th 10000

5th 12583

6th 15849

7th 19953

8th 25118

9th 31623

10th 39811

11th 251189

12th 316228

2. Draw a graph of Log10 ionisation energy on the y axis against the formula of the magnesium ion on the
x axis

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3. Why is it necessary to convert the ionisation energies to a log10 scale?

4. Give the symbol equations including state symbols for the first two ionisation energies for magnesium.

5. Explain why successive ionisation energies increase.

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 6. Explain why there is a large increase in ionisation energy between the 2nd and the 3rd. (Make sure you
relate your answer to the electron configuration of both ions)

7. Why is there a large ionisation energy difference between the 8th and the 9th?

8. Why is there a large ionisation energy difference between the 10th and 11th?

9. Successive ionisation energies can be used to determine which group in the periodic table an element
belongs to. Use the following information below to deduce the group number and explain why.

Linking question: AHL Structure 3.1—How do patterns of successive IEs of transition elements help to explain
the variable oxidation states of these elements?

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Successive Ionisation Energies – evidence for levels

After removing the first electron, it is possible to continue removing electrons giving 2nd, 3rd, etc ionisation
energies.

e.g. Mg(g) → Mg+(g) + e-

Mg+(g) → Mg2+(g) + e-
Mg11+(g) → Mg12+(g) + e-

Energy required to remove the 12th electron is not identical to the energy required to remove the 1st electron.

General increase because increased ratio of protons compared to electrons therefore greater attraction. Also
removing successive electrons from an ion with a greater positive charge.

Large increase between 2nd and 3rd I.E. caused by 2nd electron being removed from 3rd level whereas 3rd
electron is removed from the 2nd level which is closer to nucleus.

Large increase between 10th and 11th caused by 10th electron being removed from the 2nd level whereas 11th
electron is removed from the 1st level which is closer to the nucleus.

The first large increase in successive ionisation energy indicates the number of electrons in the outer level

e.g. Electron removed 1st 2nd 3rd 4th 5th

I.E. (kJ mol-1) 600 1250 2000 45500 49900

This will be a group 13 element.

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Structure 3.1 - The periodic table: Classification of elements
Standard level and higher level: 2 hours

SL & AHL
Structure 3.1.1 - The periodic table consists of periods, groups and blocks.
Identify the positions of metals, metalloids and non-metals in the periodic table.

The four blocks associated with the sublevels s, p, d, f should be recognized.

A copy of the periodic table is available in the data booklet.

SL & AHL
Structure 3.1.2 - The period number shows the outer energy level that is occupied by electrons.

Elements in a group have a common number of valence electrons.

Deduce the electron configuration of an atom up to Z = 36 from the element’s position in the periodic table
and vice versa.
Groups are numbered from 1 to 18. The classifications “alkali metals”, “halogens”, “transition elements” and
“noble gases” should be known.

Guiding question: How does the periodic table help us to predict patterns and trends in the properties of
elements?

Nature of science, Structure 1.2—How has the organisation of elements in the periodic table facilitated the
discovery of new elements?

Atomic number (Z)

Elements in the periodic table are arranged in order of increasing nuclear charge, that is, the number of
protons in the nucleus of an atom. This is also known as the atomic number (Z), or proton number of the
element. This can be seen by looking at the atomic number of hydrogen (Z = 1) and then helium (Z = 2),
followed by lithium (Z = 3), beryllium (Z = 4) and so on up until the element oganesson (Z = 118).

This arrangement leads to the idea of periodicity – repeating patterns of chemical and physical properties.

The basis for arranging the elements according to atomic number was established by Henry Moseley
(1887–1915). The importance of the 'atomic number' as a defining property of an element came from his
studies of the X-rays released when the atoms of different metallic elements were bombarded by electrons.

He discovered that the square root of the frequency of the X-rays released showed a direct relationship to the
atomic number of the element (below). Based on these results, Moseley suggested that when moving from
one element to the next in the periodic table, one proton was added to the nucleus of the atom.

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Groups and periods

So far, we have seen that the elements in the periodic table are arranged in order of the number of protons in
the nucleus (the atomic number), with each successive element having one more proton than the previous
element. They are also organised into vertical columns called groups and horizontal rows called periods
(below).

There are seven horizontal rows (periods) in the periodic table. The period number gives the number of
occupied main energy levels in the atom. Period 1, for example, contains the elements hydrogen and helium.
Atoms of these elements have electrons that occupy the first main energy level (n = 1). Atoms of elements in
period 2 such as lithium, boron and fluorine have two occupied main energy levels, n = 1 and n = 2. Atoms of
elements in period 3 have three occupied energy levels and so on.

The group number of an element can be used to deduce the number of valence electrons in an atom of that
element. Group 1 elements all have one electron in their valence energy level. Group 2 elements have two
electrons in the valence energy levels; group 13 elements have three electrons in their valence energy levels;

33
group 14, four; group 15, five; group 16, six; group 17, seven and group 18, eight electrons in their valence
energy levels.

Metals, non-metals and metalloids

Elements can be classified as metals, non-metals or metalloids (semi-metals). These different types of
elements are found in different regions of the periodic table. The majority of elements in the periodic table are
metals. These elements are located mainly on the left and the middle of the periodic table, in the s-block,
d-block and f-block. For example, group 1 and group 2 on the far left of the periodic table contain the alkali
metals and alkaline earth metals respectively. Common metals such as copper and iron are found in the first
row of the d-block, situated in the middle of the periodic table.

Non-metal elements, such as carbon, oxygen and chlorine, are found on the right side of the periodic table, in
the p-block. Group 17 contains the halogens, which are reactive non-metals, and group 18 contains the noble
gases, so called because of their lack of reactivity.

The metalloids (or semi-metals) are located in a diagonal 'staircase' that forms a boundary between the metals
and the non-metals. Metalloids have properties of both metals and non-metals. Silicon, for example, is shiny
like a metal but is a poor conductor of electricity under standard conditions. Together with other semi-metals,
such as germanium and arsenic, silicon is widely used in the production of photovoltaic cells.

34
Names of the groups in the periodic table

The different groups in the periodic table are given names that you should be familiar with. These names,
together with the characteristic properties of the elements in that group, can be found in Table 1.

Name Group Characteristics

Alkali Metals 1 Most reactive group of metals

Reactive metals - but less than

Alkaline Earth Metals 2
Group 1

Halogens 17 Most reactive group of non metals

Group of very unreactive

Noble Gases 18
monatomic gases

d block region - note that zinc is a

Relatively stable metals with only
d block element but it is not
Transition Metals moderate reactivity - useful for
considered to be a transition
construction
metal

The lanthanides and actinides are metallic elements that make up the f-block. These two rows of elements are
separated from the main body of the table, in what is known as the 'short form' of the periodic table. This
form of the table is merely a matter of convenience; the table could be drawn in its 'long form' (below). The
actinides are elements with atomic numbers 89 to 103 and are all radioactive. They include uranium (U), which
is used as a fuel in nuclear reactors. The lanthanides (elements 57 to 71) are also known as the rare earth
metals. Neodymium, for example, is used to make powerful magnets.

Blocks in the periodic table

There is a clear link between the electron configuration of an atom and the position of that element in the
periodic table. Recall from previously that electrons occupy atomic orbitals and that these atomic orbitals are
given the letters s, p, d or f. The periodic table is divided into blocks with the same letters.

The s-block elements occupy groups 1 and 2. Elements in group 13 to 18 are p-block elements. The d-block
consists of the elements in group 3 to 12. Elements in the f-block are found at the bottom of the periodic table
(Figure 1).

35
The block in which an element is located tells us which sub-level is in the process of being filled. For example,
in the s-block, the s sub-level is being filled, and in the p-block, the p sub-level is being filled. The same is true
for elements in the d-block and the f-block. Take, for example, boron which is located in the p-block of the
periodic table. Its electron configuration is 1s2 2s2 2p1 which shows that the p sub-level contains one electron.

The next element is carbon, also in the p-block, which has two electrons in the p sub-level. As we go across the
p-block, we are adding electrons to the p sub-level, hence these elements are all p-block elements.

Note that all electrons in the highest occupied main energy level of an atom are considered to be valence
electrons, even though they may be in different sub-levels. For example, fluorine has the electron
configuration 1s2 2s2 2p5.

The valence electrons in the fluorine atom are those located in the 2s and 2p sub-levels. Therefore, fluorine is
said to have a total of 7 valence electrons; 2 electrons in the 2s sub-level and 5 electrons in the 2p sub-level.
For the main group elements (elements in groups 1, 2 and 13-18) the valence electrons are considered to be
all those located in the highest occupied main energy level of the atom.

The electron configuration of an element can be deduced from its position on the periodic table and vice
versa. The element lithium, for example, is in group 1 and period 2 of the periodic table. From this, we can
deduce that an atom of lithium has one electron in the 2s sub-level and two occupied main energy levels.

It is located in the s-block because the electrons are being added to the s sub-level. Its electron configuration
is 1s2 2s1 or [He] 2s1.

Iodine, symbol I, is located in the p-block, as it has an electron configuration that finishes with 5p5. Iodine is in
period 5 and group 17; it has seven electrons in its valence energy level and five occupied main energy levels.
Its electron configuration is:

1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p6 4d10 5s2 5p5 or [Kr] 4d10 5s2 5p5

36
The position of hydrogen and helium

Strictly speaking, hydrogen and helium are both s-block elements as they have their valence electrons in the s
sub-level. Hydrogen is often shown as an element on its own (not associated with any group) on many
versions of the table, although on the periodic table in the Chemistry data booklet, it is placed above group 1.

Helium is in group 18 as it has similar chemical properties to the other noble gases.

Question:

The electron configuration of magnesium is 1s2 2s2 2p6 3s2. From this, deduce the group, block and period that
magnesium occupies in the periodic table.

37