1.

4
1.3 – Bonding
Chemical calculations I

1. Relative mass terms

Relative atomic mass (Ar) – the average mass of one atom of the Deflection
element relative to one-twelfth the mass of an atom of carbon-12 Different ions are deflected by the magnetic field by different
Most elements exist as two or more different isotopes, so an amounts. The amount of deflection depends on the mass of the
average mass is used, relating to the relative abundance of all ions and their charge:
the isotopes present. It has no units as the masses are relative to • the lighter ions are deflected more than the heavier ones
another mass.
• ions with two positive charges are deflected more than ones
Relative isotopic mass – the mass of one atom of an isotope with one positive charge.
relative to one-twelfth the mass of one atom of carbon-12
These two factors are combined in the mass/charge (m/z) ratio.
Relative formula mass (Mr) – the total average mass of all the
atoms in the formula relative to one-twelfth the mass of an atom Detection
Explaining the 9:6:1 ratio
of carbon-12 Only ions with a given m/z ratio make it right through the machine
to the ion detector. Electrons are transferred from the detector The 35Cl isotope is three times more common than the 37Cl isotope.
2. The mass spectrometer plate to the positive ion and this produces a current. The larger the The probability of an atom being 35Cl is 34 and being 37Cl is 14
A mass spectrometer can be used to find the relative atomic mass current, the higher the abundance of that isotope. The signal is then
Molecule Cl—35Cl
35
[35Cl—37Cl and 37Cl—35Cl] Cl—37Cl
37
of an element. It measures: amplified and recorded. When the magnetic field is varied, each
ion stream can be brought in turn onto the detector to produce a Probability 3
• the relative mass of each different isotope of an element 4 x 34 [ 34 x 14 + 1
4 x 34 ] 1
4 x 14
current which is proportional to the number of ions arriving.
• the relative abundance of each isotope of the element. Determining relative atomic mass (Ar) of an element 9 6 1
16 16 16

ratio of peaks is 9:6:1

3. The avogadro constant, moles and molar mass

A mole is the amount of a substance in grams which has the same
number of particles as there are atoms in 12g of carbon-12.
1 mol = 6.02 × 1023 particles
6.02 × 1023 is called the Avogadro constant, NA
Molar mass is the mass of one mole of a substance.
It is the same number as Ar or Mr but has the unit g mol–1.
Ar = (52 × 90) + (11 × 91) + (17 × 92) + (17 × 94) + (3 × 96) = 91.3
mass of substance (in g)
100 number of moles =
molar mass
Looking at the Periodic Table, the element that has the closest Ar 4. Calculating reacting masses
There are four main processes. to 91.3 is zirconium. Note that relative abundances do not have to
be given as percentages, so you may have to divide by a different Example: What mass of sodium oxide will form if 0.920g of sodium
Ionisation number. is burned in excess oxygen?
The vaporised sample passes into the ionisation chamber. The The mass spectrum of a diatomic molecule e.g. chlorine 4Na + O2 2Na2O
particles in the sample are bombarded with a stream of electrons
Chlorine has two isotopes – chlorine-35 (35Cl) and chlorine-37 Step 1 – Calculate the number of moles of sodium (the substance
and some of the collisions knock an electron out of the particles to
(37Cl). you have information about).
make positive ions.
0.920
35
Cl is three times more common than 37Cl. number of moles of sodium = = 0.040 mol
Acceleration 23.0
The mass spectrum therefore consists of two peaks in the ratio 3:1 Step 2 – Use the balanced equation to find the mole ratio of
The positive ions are accelerated to a high speed by an electric
relating to 35Cl+ (m/z 35) and 37Cl+ (m/z 37) and three peaks in the sodium to sodium oxide and from this deduce the number of moles
field.
ratio 9:6:1 relating to Cl2+ ions: of sodium oxide formed in this example.
Cl—35Cl+ (m/z 70)
35 From the equation 4 mol Na : 2 mol Na2O
Cl—37Cl+ and 37Cl—35Cl+ (m/z 72)
35 0.040 mol : 0.020 mol
Cl —37Cl+ (m/z 74)
37 Step 3 – Rearrange the equation mass = moles × Mr
Mass sodium oxide formed = 0.020 × 62.0 = 1.240g
1.4
1.3 – Bonding
Chemical calculations II

5. Empirical and molecular formulae 7. Changes of conditions affecting gases 9. Calculations involving solutions
Molecular formula: The actual number of atoms of each element p1V1
=
p2V2 moles = volume (dm–3) × concentration (mol dm–3)
present in the molecule. T1 T2
Example: During a titration, 25.00 cm3 of 0.500 mol dm–3
Empirical formula: The simplest whole number ratio/proportion of If a gas that was originally at p1, V1 and T1 has a condition changed, hydrochloric acid was exactly neutralised by 35.00 cm3 of sodium
elements present. e.g. temperature, then the above equation can be used to see how hydroxide solution. Calculate the concentration of the sodium
another factor changes, e.g. volume. hydroxide solution.
Example: A hydrocarbon (Mr 58) contains 4.80 g carbon and 1.01 g p is pressure and V is volume (for this equation it does not matter
hydrogen. Calculate the empirical formula and molecular formula of which units are used as long as they are the same for 1 and 2). HCl + NaOH NaCl + H2O
the hydrocarbon. T is temperature (you must change °C into K (+273). Step 1 – Calculate the moles of the substance you have
C H information about – hydrochloric acid in this case.
Mass 4.80 1.01
If a question states, for example, that the temperature remains the
Moles ( ) same then you can use p1V1 = p2V2 to solve the calculation. volume (cm3)
Ar 12.0 1.01 moles HCl = 1000 × concentration
0.40 1.00 8. The ideal gas equation 25.00
= 1000
× 0.500 = 0.0125 mol
0.40 1.00
Divide by the smaller In an ideal gas: Step 2 – Use the balanced equation to find out the mole ratio of
0.40 0.40
• the particles are of a negligible size HCl to NaOH and deduce the moles of NaOH that reacted.
1 2.5 do not round up! • the particles move with rapid, random motion 1 mol HCl : 1 mol NaOH
Multiply by two to get whole numbers • collisions between particles are perfectly elastic
• there are no intermolecular forces. 0.0125 mol HCl : 0.0125 mol NaOH
2 5
pV = nRT Step 3 – Calculate the concentration of sodium hydroxide.
Empirical formula C2H5
moles 0.0125
To use this equation, you must use the following units: concentration of NaOH = =
volume (dm3) 0.035
Mass of empirical formula = (2 × 12.0) + (5 × 1.01) = 29.05 p pressure Pa or Nm–2
58 = 0.357 mol dm –3
Number of units in a molecule = = 1.992 ≈ 2 V volume m3
29.05
n number of moles mol 10. Converting a concentration from mol dm-3 to g dm-3
Molecular formula 2 × empirical formula C4H10 R molar gas constant 8.31 J mol–1 K–1 (data booklet)
Note: You can also use an empirical formula style calculation to find T temperature K g dm–3 = concentration (mol dm–3) × Mr
χ in a water of crystallisation calculation. Conversions:
6. Volumes of gases 1 kPa = 1 × 103 Pa
11. Atom economy and percentage yield
1 atm = 1.01 × 105 Pa (data booklet) mass of required product
At standard temperature and pressure (stp) [273 K, 1 atm] one mole 1 cm3 = 1 × 10–6 m3 atom economy = × 100
of any gas occupies a volume of 22.4 dm3. This value is called the 1 dm3 = 1 × 10–3 m3
total mass of reactants
molar gas volume (Vm).
Example: Calculate the number of moles in 200 cm3 of a gas at 25°C Note: Don’t forget to use any associated balancing numbers.
Example: What volume of hydrogen is formed, at stp, when 6.00 g of and at a pressure of 100 kPa.
zinc reacts with excess sulfuric acid? mass of product obtained
percentage yield = × 100
p = 100 kPa 100 × 103 Pa maximum theoretical mass
Zn + H2SO4 ZnSO4 + H2 V = 200 cm3 200 × 10–6 m3
Step 1 – Calculate the moles of the substance you have T = 25°C 298 K Note: Often the theoretical mass is not given directly in the question
information about – zinc in this case. and will need to be calculated.
pV
moles zinc = 6.00
= 0.0920 mol pV = nRT n= RT
12. Percentage error
65.4
Step 2 – Use the balanced equation to find out the mole ratio of (100 x 103) x (200 x 106) An error is usually taken as half of the smallest division on the
zinc to hydrogen and deduce the moles of hydrogen formed. n= apparatus. In chemistry, we usually measure the difference
8.31 x 298
1 mol Zn : 1 mol H2 between two values so that we have two readings with an error of
n = 0.808 mol (correct to 3 sig. figs) half a division, adding up to an overall error of one division.
0.0920 mol Zn : 0.0920 mol H2 Note: A zero does not count as a significant figure until it has a non- Burette: Error of 0.05 cm3 per reading so overall error 0.1 cm3.
Step 3 – Calculate the volume of this number of moles of hydrogen zero number in front of it.
gas at stp. Example: What is the percentage error when 24.30 cm3 of a solution
is measured from a burette?
volume of hydrogen = 0.0920 × 22.4 = 2.061 dm3 0.1
percentage error = × 100 = 0.41%
Note: Molar gas volume is 24.5 dm at 25°C (298K) and 1 atm - room
3
24.30
temperature and pressure (rtp). Note: Percentage errors decrease as the amount measured
increases, so using larger amounts decreases the percentage error.