School Chemical quantities and formulae

Definitions
- Elements are substance which cannot be broken down by chemical means into other
substances
- Atoms are the smallest part of any element that can take part in chemical reaction
- Ions are formed when an atom gains or loses electrons charged particles
- Compounds are formed when two or more elements are chemically attached
- Molecule is the smallest part of a covalent compound or an element that can exist
alone
- Empirical formulae is the simplest atom ratio of the elements of a compound

Example
Step Method
C H O
Mass or Percentage 40% 6.67% 53.33
1
Molar Mass 12 1 16
Divide by smallest 3.33 6.67 3.33
2 value 3.33 3.33 3.33
Input whole number 1 2 1
3
ratio to formulae CH2O

- Molecular formulae the exact number of atoms /ions that make up a compound-
exact multiple of its empirical formula
Molecular Mass
X Empirical formula
Empirical formula M ass

Balancing equations and ionic equations

- Include ions in ionic equations which have changed state from one side of the
equation to the other
- The rest of the molecules are spectator ions which are not involved with the reaction
1. Put state symbols and show separate ions
Fe(s) + Cu2+ (aq) + SO42-(aq) Cu(s) + Fe2+ (aq) + SO42-(aq)
2. Remove spectator ions
Fe(s) + Cu2+ (aq) Cu(s) + Fe2+ (aq)
3. Balance out charges- isnt necessary in this reaction
- Half equations would show the molecules/ions which change oxidation state and you
balance charges with electrons
E.g. Cu2+ (aq) + 2e- Cu(s)
Fe(s) Fe2+ (aq) + 2e-
m
Solution calculations: n = c x v and amounts of substance with n =
Mr
number of parts it is contained
Concentrations can be expressed as Parts per million = number of partschemical

(amount by volume or mass)
Avogadros constant is the number of atoms in exactly 12g of carbon-12 which equals
6.02 x 1023
- can also show how many particles in a given number of moles of a solid or gas
- moles x (6.02 x 1023)
Chemical equations can be used to determine the masses of reactants and vice versa, the
mass of reactants can confirm a balanced equation
- however due to rounding to the nearest mole the balanced equations may not be
entirely accurate
- Practice the calculations
Reactions with gases
- Molar volumes is the volume occupied by 1 mol of any gas= 24dm3 at standard
pressure and temp
- Ratio of gas volumes used to calculate reacting masses.
6 1
E.g. 6dm3 of methane = = molar volume
24 4
- Also able to find chemical equations from experimental data as volumes of gases as
s.t.p are proportional to their amount
E.g. 4.5 dm3 oxygen 3 dm3 nitrogen
1.5 mol oxygen 1 mol nitrogen

Percentage yields
- Must work out theoretical yield first:
Step Method Example
1 Balance equation 2Mg (s) + O2 (g) 2MgO (s)
2 Molar mass 48.6 g 80.6 g
3 Divide by smallest Mr 48.6 g 48.6 g
Multiply by known or starting
4 1.00g x 2.00g 1.66g x 2
mass
Input end mass into percentage 2.00g 3.32g
5
yield equation

actual mass of proucts

Percentage yield = x100
theoretical mass of product
Atom economy- based on the assumption that the yield is 100%

mass of atomsrequired product

X 100%
total mass of atomsreactant

- A reaction with a high atom economy has few waste products

- Reduces the cost of waste treatment and disposal which is good for industrial
processes.
- Atom economy can be improved by finding used for by-products

Salt and double salts are ionic compounds which have a metal/ammonium cation and an
acid anion; double salts have more than one cation or anion. They are produced by
- Acid + Alkali/Carbonate/Metal oxide
- Acid + Reactive metal
- The salt must be crystallised from a saturated solution- concentrated by evaporating
water and filtering
- An insoluble salts forms a ppt which can be filtered, washed and dried.

Enthalpy changes and enthalpy level diagrams

H is the energy given out or taken in during a reaction under standard conditions.
- Between a systems and surroundings
- H = HProducts - Hreactants
Enthalpy level diagrams show relative energy levels of reactants and products
- Exothermic reactions have a negative H and give out energy into surroundings
- Endothermic reactions have a positive H and take in energy from surroundings
 Reactants Products

Products Reactants

Definitions
- Hf is when 1 mole of compounds is formed from its constituent elements
= products - reactants
- Hc is when 1 mole substance is completely burnt in oxygen
= reactants - products
- Hat is when 1 mole of atoms is produced in the gaseous state from its element
- Hn is when 1 mole of water is formed by the reaction of an acid + alkali
- ALL ENTHALPY CHANGES ARE UNDERSTANDARD CONDITIONS
Enthalpy changes can be determines from calorimeter experiments by measuring the heat
change of surroundings= mass x c (specific heat capacity) x T
This value give the enthalpy change of surroundings produced by the combustion of a
energy produced
known volume of fuel- energy produced per mole = these reactions
moles of fuel
give out heat so are always exothermic so negative enthalpy sign must be in place
Assumptions of the experiment are:
- All energy from combustion is transferred into water
- The calorimeter does not absorb any heat
- There is no heat loss from the water
- Fuel has undergone complete combustion

Hesss Law states that the total enthalpy change of a reaction is independent of the route
taken provided the initial and final conditions are the same
- Using Hesss law you can calculate the Hf using the Hc
Hf = H1 - H2
- Hesss law allows you to measure enthalpies of formation indirectly using
experimental values for example: 1. Add HCl to CaO and CaCO3 in
separate containers and measures
Hf the temp changes
CaO(s) + CO2 (g) CaCO3(s) 2. Input values into enthalpy equation
E =mcT
3. E/n = kj produced per mol
4. Endothermic or exothermic
depending on whether the temp
1 change was positive or negative
C(s) + Ca(s) +1 O2 (g)
2 5. Input into Hesss law cycle

Bond enthalpy is the energy associated with 1 mole of a particular bond

- Energy required to break 1 mole of bonds
- Energy required to make 1 mole of bonds
Mean bond enthalpy is the bond enthalpy of a particular bond in a range of compounds
which can be used to calculate the enthalpy change of a reaction however is limited by:
- They are average values which may be different in certain environments
- Values given are gaseous bond enthalpies
o If a liquid is in the calculation the energy of vapourization must be included.
- They are calculated under standard conditions
Hc = bonds broken (left) Bonds made (right)

You can input the values into a Hesss Law cycle

 - You need to make sure that the intermediate reaction products are all in the gaseous
state so include the enthalpy of atomisation and vapourisation
Bond enthalpy is also linked to stability and the larger the bond enthalpy the stronger the
bond which gives indication to which bonds will break at a certain energy and what will break
first. It can also determine how fast the reaction may take place.

Mass spectrometry
- Relative atomic mass is the average weighted mass of an atom relative to 1/12th of
C12
- Relative isotopic mass of an atoms isotope is the average weighted mass of an
isotope relative to 1/12th of C12
- Deduce relative isotopic composition through relative abundance
- Calculate the relative atomic mass of a compound
1 ( mz x abundance ) +2(mz x abundance)
100
- Relative molecular mass can also be determined by a mass spec.
Not only is the vapourised sample ionized but is also fragmented which gives
corresponding m/z peaks.
The molecular ion peak (M+) will give the RMM as the molecule has only been
ionized and not fragmented
Basic principles include:
Vaporised
Ionized bombardment of electrons creating positive ions
Accelerated- an electric field
Deflection- magnetic field
Detection
Uses of mass spec include; radioactive dating, space research, detection of illegal drugs,
pharmaceutical industry research

Ionization energy and electron shells

- Energy required to remove 1 mole of electrons from 1 mole of atoms in the gaseous
state which is an endothermic process
- Ionization energy provides evidence for quantum shells and electron sub shells
Ionisation energy

1 2 3 4 5 6 7 8 9 10 11
Evidence for electrons shells- successive ionization
energy
- High energy to remove inner most electrons
- Jump suggests new shell
- Increasing IE is due to atomic radii and shielding
Along with increasing Zeff
- Lowest IE due to the outer most electrons

Na [1s12s22p63s1]
 - 1st ionization energy trend increases across a
period but decreases down a group.

Evidence for electron subshells

2500

2000

1500

1000

500

0
Drop between Be and B show that B has a new subshell which is less stable and
therefore more easily ionized.

N has relatively high ionization energy due to it having a half full subshell which is
stable.

Noble gases have the highest ionization energy as they have full subshells

Ionisation energy increases across a period as proton number will increase which increases
the effect of the positive nucleus on the electrons also reducing the atomic radii.
- Subshells orbitals are s, p, d and f. They can hold 2 electrons each of opposite spin
- Subshells have varying different energy levels (4s has a lower energy than 3d)
- Use subshells to write out electronic configurations (easy)

PERIODIC PROPERTIES melting temp and ionization energy

Giant molecular structures are

held together in a covalent
lattice and are very strong
- C and Si
Metallic has the sea of
delocalised electrons which
strengthen the bond
- Li, Mg, Al
Simple non-metal molecules
only have weak intermolecular
forces so have low boiling points
- N, O, Cl, P

Ionic Bonding- omnidirectional electrostatic force of attraction between oppositely charged

ions
Evidence that ions exist
 - Physicality such as high melting temp, soluble in polar solvents and conduct
electricity when in solution
- Electron density maps will show separate ions with zero density between
- Electrolysis and separate attraction to anode and cathode
Ions try and achieve noble gas configuration (octet rule or isoelectronic) either as an anion
(+) by gaining electrons or a cation (+) by losing electrons
- Dot and cross diagrams (easy)
IONIC LATTICES are formed when each ion is surrounded by an oppositely charged ion can
also produce a giant ionic structure
Trends in ionic radii
- Cations < Anions
- Increases down a group due to the increase in shells
- Isoelectronic ions radii are dependent on the number of electrons gained or lost.
N3- > O2- > F- > Ne > Na+ > Mg2+ > Al3+
Ionic lattices formations
1. Atomization of the metal
2. Atomization of the non-metal Calculated using enthalpy level
3. Ionization of the gaseous metal diagrams application of Hesss
4. Electron affinity of the gaseous non-metal law
5. Formation of the crystal from gaseous ions

N.b when calculating the ionisation of the metal you must consider what group and there for
whether it is 1st or 2nd I.E
- Stability of an ionic compound is relative to the Hf value. The most exothermic is
the most stable and endothermic compounds are not feasible unless under very
harsh/cold conditions

Polarization of ions- distortion of the ionic cloud away from completely spherical, a cation
will distort an anion. This may influence the Born-Haber values away from theoretical values
which are based upon the assumption that ions are completely spherical and separate.
- Polarizing power it proportional to the cationic charge density and the electron cloud
of the anion
- Testing the ionic model
Lattice energy/ kJ mol-1 The values given with sodium halides are very
Compound Born- close to the theoretical value which suggests that
Theoretical there is very little polarization.
Haber
NaF 918 912
NaCl 780 770 Silver halides however show a great deal
NaBr 742 735 of bond polarization possible due to Ag
having a large electron cloud which is
NaI 705 687
distorted more easily- increase tendency
AgF 958 920
for covalency in silver halides
AgCl 905 883
- This is supported by lower melting temps in
AgBr 891 816
AgX compared to NaX
AgI 889 778 Covalent bond is the strong electrostatic
attraction between the nucleus of the two atoms involved and the shared pair of electrons
- Dative covalent bond are formed when both shared electrons are from one atom
- Double/triple bonds
- Lone pairs of electrons affect the shape of the molecule as they contribute to areas of
electron density. They must also be shown on dot-cross diagrams and H bonds but
be an electronegative atom with a lone pair of electrons
Evidence for covalent bonds includes:
- Electron density maps which show high density between 2 atoms
- Giant molecular structures physical properties show that very strong bonds exist.
Such as diamond which has very high melting temps.
Dot and cross diagrams (easy)
Metallic bonding - is the strong attraction between metal ions and a sea of delocalized
electrons (vibrating), their properties include:
- Electrical conductivity, movement of delocalized can move in direction of electric field
- Thermal conductivity, the delocalized electrons transmit kinetic energy (heat)
- High melting temp, strong attraction
- Malleable and ductile due to layer of positive ions can slide and still remain
surrounded by delocalized electrons
Alkanes- saturated hydrocarbons which have the general formula CnH2n+2; alkanes can have
the same molecular formula but produce different structural isomers through branching
- Alkanes are used and fuels as they combust in excess oxygen such as methane
CH4 + 2O2 CO2 + 2H2O
- Fuels are produced via fractional distillation, cracking and reforming
o Cracking produces smaller chain alkanes and alkenes
o Reforming is also the breakdown of long chain HC but will increase the
proportion of aromatic compounds
o Fractional distillation is simply the separation of components of a mixture
such as crude oil
Alternative fuels to crude oil, which is non-sustainable, are being developed to reduce
carbon emissions and global warming
- Combustion of hydrogen only produces water which is considered cleaner; however
water vapour is a greenhouse gas!
- Hydrogen can combine with oxygen in fuel cells and again only produce water
- Production of hydrogen from electrolysis is expensive and requires vast amounts of
energy- producing greenhouse gases
- Biofuels production absorbs CO2 from atmosphere and release when burnt as a fuel
which makes them more carbon neutral
Reactions of Alkanes
- Combustion produces carbon dioxide and water when fully combusted, if excess
oxygen isnt present carbon monoxide is produces which is highly toxic
1
E.g. car engines: C8H18 + 8 O2 8CO + 9H2O
2
- Substitution, such as free radical substitution- curly arrows
MECHANISM
1. Initiation : involves UV light to break down Cl2 (homolyticaly) into 2Cl
2. Propagation: maintains the concentration of free radicals. Reaction must have
one free radical on either side of equation
CH4 + Cl CH3 + HCl
CH3 + Cl2 CH3Cl + Cl
3. Termination: combination of 2 free radicals
Cl + Cl Cl2
Cl + CH3 CH3Cl
CH3 + CH3 C2H6
Alkenes are unsaturated HCs which contain double bonds, general formula is CnH2n
- Carbon-Carbon double bonds have a sigma and pi bond and are not rotational
o p orbitals overlap to produce 2 areas of
electron density, above and below the H H
sigma bond C C
- these bonds produce geometric isomers
depending on the functional groups and what side H H
of the double bond they exist on
- Cis- Trans Isomerism. Cis = same side, Trans = different. This is not based apon
molecular weight of groups and therefore is limited
- E-Z Isomerism is based in molecular weight, Z = same, E = different
 - Geometric isomerism is used in the food industry

Reactions of alkenes
- Addition of hydrogen (Ni catalyst at 200C) alkane
- Addition of halogens di-substituted halogenoalkane
- Addition of hydrogen halides mono-substituted halogenoalkane
- Oxidation with acidified KMnO4 Diol
- Polymerization involves the removal of the double bond

Reaction mechanisms
- Bromine + Alkene

- Hydrogen Bromine + Alkene

- Hydrogen Bromine + Propene

Evidence of reaction mechanisms

Mixing Cl- ions with the Br2 solution and the alkenes will be substituted with Cl and Br
producing 2 compounds
- Di-bromoethane and 1-bromo, 2- chloroethane

Bromine water as a test for C=C

- Aqueous bromine produces two nucleophiles, Br- and OH- , which attack the
carbocation
- If the compound contains at least 1 double bond the bromine water will be
decolorized because it is reduced
- Potassium manganite (VII) reacts the same way, decolorized with the presence of
double bonds