CHEM1031: Higher Chemistry 1A

Week 1 - Atoms, Inorganic Nomenclature and Chemical Calculations

Dr Jason Harper Dalton 223, x54692 j.harper@unsw.edu.au

Text Books
Blackman, A., Bottle, S., Schmid, S., Mocerino, M., and Wille. U, Chemistry, John Wiley and Sons, 2008. Aylward, G.H. and Findlay, T.J.V. SI Chemical Data, (6th ed.). CHEM1011/CHEM1031 Course Pack, sold at the UNSW Bookshop.

Learning Objectives
Name the constituent parts of an atom, together with their relative masses and charges. Calculate numbers of protons, neutrons, electrons in atoms of a particular element. Name simple inorganic compounds and write the formulae for simple compounds from their name. Write and balance simple chemical equations. Calculate molecular weight from chemical formula. Calculate % by mass of each element in a compound and determine empirical formula from % by mass. Calculate concentration of solutions in various units. Calculate yield in a chemical reaction, determine the limiting reagent.

Learning Objectives
Name the constituent parts of an atom, together with their relative masses and charges. Calculate numbers of protons, neutrons, electrons in atoms of a particular element. These are covered in sections 1.2-1.4 of Blackman et al.

A starting point ... and an update

Daltons Atomic Theory
All matter consists of tiny particles: ATOMS Atoms of one element can neither be subdivided nor changed into atoms of another element. All atoms of the same element are identical in size, mass and other properties. Atoms of one element differ in mass and other properties from the atoms of other elements. Chemical combination is the union of atoms of different elements, the elements combine in simple, whole number ratios with each other.

Daltons Atomic Theory

Atoms of one element can neither be subdivided nor changed into atoms of another element. (The second point neglects nuclear ssion and fusion, not then understood.) The rst part may be reworded - the smallest unit of an element is the atom. - it is made up of two parts: a) The nucleus (protons and neutrons) b) Electrons in shells around the nucleus.

The different components of the atom are not the same mass and they dont take up the same amount of space.
Proton mass = 1.673 x 10-27 kg Neutron mass = 1.675 x 10-27 kg Electron mass = 9.109 x 10-31 kg The electron cloud is much larger than the nucleus. (For hydrogen, which has one proton in the nucleus, it is 100,000 times.) *Think about what the outside world sees.

So what does this mean?

i) The size of the atoms electron cloud denes the atoms size. ii) The weight of the atoms nucleus (that is, how many protons and neutrons are present) denes the atoms weight. iii) Together these two dene the atoms average density. But what determines how many protons, electrons and neutrons there are?

Lets start with the easy parts.

Need to consider that these species are charged Charge on a proton = +1.602 10-19 C Charge on a neutron = 0 Charge on an electron = -1.602 10-19 C For a neutral atom, number of protons = number of electrons This says nothing about the number of neutrons (which we will come to later). If the two values are not the same, the species is charged. Anion: Negatively charged species, protons < electrons Cation: Positively charged species, protons > electrons

Fundamental property of an element

There are the same number of protons in each atom.

A way to remember what denes an element

Consider the following argument: For two atoms to react they must come into contact. This means that the electron clouds must interact. Different number of electrons would mean different interactions (and hence reactions/reactivity). Since atoms are neutral, different number of electrons correlates to different number of protons. Atoms with different numbers of protons will display different reactivity ... which is the a way of dening an element.

Fundamental property of an element

There are the same number of protons in each atom. Why dene it in terms of protons rather than electrons then? Because electrons may be gained or lost by an atom to form an ion. The number of protons in a nucleus is the atomic number for that element. This is all consistent with Daltons theory, particularly ... Atoms of one element differ in mass and other properties from the atoms of other elements.

So what about neutrons?

Neutrons do not have charge but do have mass. If a neutron was added to the nucleus of an atom, it would be heavier but the number of electrons would still be the same. There would be little change to the reactivity but some changes to properties related to mass.

Isotopes
Atoms with the same number of protons (and hence electrons) but different number of neutrons are called isotopes. They have different mass (and hence slightly different physical properties). They have very similar chemical properties and are both the same element. So Dalton was incorrect when he proposed All atoms of the same element are identical in size, mass and other properties.

Was he right about size though?

All atoms of the same element are identical in size, mass and other properties. Remember from earlier ... The size of the atoms electron cloud denes the atoms size. Two isotopes of the same element have the same number of protons and the same number of electrons, just not the same number of neutrons. Hence their electron clouds would be the same size. So Dalton was right!

So how do we represent these symbolically?

M Z

A = symbol of element Z = number of protons (atomic number) M = mass number (protons plus neutrons) n = charge on the system (zero for an atom - see next slide for use) Examples:
12 6C 79 35Br

Has 6 protons, 6 neutrons, 6 electrons Has 35 protons, 44 neutrons, 35 electrons

Note that sometimes the atomic number is left off - it is considered to be implied by the elemental symbol.

A couple of things on this representation

M Z

Different elements can be identied by different symbols and atomic numbers. Different isotopes can be identied by different mass numbers. Charged species (ions) can also be identied this way. Remember that a positive charge means more protons than electrons and vice versa.
13 2+

Example:

6C

Has 6 protons, 7 neutrons, 4 electrons

Isotopes
Some elements have only one isotope, others have many. Some are stable, some break down (radioactivity).

Isotopic examples
Hydrogen has three isotopes.
1 1

2 1

3 1

They differ by the number of neutrons present. These isotopes are sometimes referred to as protium, deuterium and tritium but they are all still the same element. The compounds formed from the different isotopes have slightly different properties, all based on the fact that they have different mass: Boiling points: H2 (-253C); D2 (-250C) Melting points: H2 (-259C); D2 (-255C) Densities: H2 (0.1 g/ml); D2 (0.2 g/ml)

Are they useful?

You have probably all heard of carbon dating techniques. Literally, this measures the amount of the isotope of carbon with a mass number of 14 (8 neutrons, 6 protons) relative to the corresponding amount of carbon-12. It works because carbon-14 is radioactive and breaks down. A living organism will stop taking in carbon-14 from the environment (either as carbon dioxide for plants, through ingestion by animals) so this ratio decreases with time.

Are they useful?

But plants actually fractionate (change the ratio of isotopes) in carbon dioxide they take out of air, and not to the same extent. This difference is tiny but it means that different plant steroids have a different isotopic ratio (carbon-14 to carbon-13 to carbon-12); this is useful for drug testing! (Steroids 2006, 71, 364)

Learning Objectives
Name simple inorganic compounds and write the formulae for simple compounds from their name. This is covered to some degree in section 2.3 of Blackman et al.

So whats a compound then?

A compound is made up of two or more elements combined in a xed ratio. Later in the course youll learn about the different types of bonding involved (Week 4).

Naming Inorganic Compounds

Inorganic - without carbon. (Organic nomenclature is an entire section later in the course!) For simple systems made up of one metallic and one nonmetallic element the rst part of the name is the metal, is followed by a space and the second part of the name is the non-metal with the last syllable changed to -ide, with no account made of the ratio of the number of atoms present. The same argument goes for all salts, made up of cation and an anion - this will be discussed shortly when we consider naming complex anions.

Some examples
NaBr K 2S MgO BaCl2 Li3N sodium bromide potassium sulde magnesium oxide barium chloride lithium nitride

Note again, there is no indication of the ratio of the elements barium chloride rather than barium dichloride. This is because in these cases there is only one ratio.

What happens when more than one ratio is possible?

This occurs particularly in compounds where there are more than one non-metallic element present. For example, there are two combinations of phosphorus and chlorine.

PCl3

PCl5

What happens when more than one ratio is possible?

Compounds that can have several different ratios of elements use number prexes - mono, di, tri, tetra, penta, hexa So for the previous examples.

phosphorus trichloride

phosphorus pentachloride

Some Questions and Answers

Question: What if there was more than one phosphorus atom in the formula, say it was P2Cl5? Answer: Then phosphorus would also get a prex - and that compound (which doesnt actually exist) would be diphosphorus pentachloride. Question: Why does the phosphorus part of the name go rst in the previous examples? Answer: This relates to a more general form of the naming convention metal goes rst. Actually, it relates to the electronegativity (tendency of an atom to attract electrons) - a concept which will be discussed further later in the course. Question: So how do we use it now? Answer: Electronegativity increases as you move to the top right hand side of the periodic table.

So phosphorus is less electronegative than chlorine. So how do you name the compounds SO2 and SO3?

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Some examples
Sulfur is less electronegative than oxygen so it forms the rst part of the name. SO2 sulfur dioxide

SO3

sulfur trioxide

This can also happen with some metals

Though for these cases, nomenclature dictates a change in the way the metallic element is described. FeCl2 ferrous chloride FeCl3 ferric chloride Hg2 Cl2 mercurous chloride HgCl2 mercuric chloride This is a bit cumbersome - is there a better way? Yes, using Oxidation Numbers (ONs)

Why do some elements combine in different ratios?

The concept of valence is often used. This is the simple observation that each atom type generally has a customary combining power. e.g. NaCl, CaCl2, FeCl3, Na2O, CaO, Fe2 O 3 imply valencies of 1 for Na and Cl 2 for Ca and O 3 for Fe (in this case - it can also be 2) Relates to position in periodic table - which in turn is related to electronic conguration and electronegativity.

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So how are oxidation numbers (ON) assigned?

free element ON = 0 (e.g. F2, O2, S8, Ca, C60) monatomic ion ON = charge on that ion (e.g. Cl, Na+, Fe3+) Fluorines ON always 1 (except in the element F2) Oxygens ON almost always 2; exceptions peroxides (H2 O 2 ) and superoxides. Hydrogens ON is +1, except in metal hydrides (e.g. NaH), when H is 1 Main group metal in a compound: ON same as + group number (e.g. Na+1 in NaCl) Non-metals in compounds: ON usually (group number 18)* The sum of oxidation numbers is equal to the charge on either the compound or the ion; this allows determination of the oxidation numbers of the other elements present.

Lets look at previous examples.

For phosphorus trichloride, the ON for P = +3 For phosphorus pentachloride, the ON for P = +5 This can be used in naming, with the oxidation of the variable valence element placed in roman numerals after the element name.

phosphorus(III) chloride

phosphorus(V) chloride

This is sometimes called STOCK nomenclature.

Lets look at previous examples.

Using the same argument, for the sulfur examples previously SO2 sulfur(IV) oxide

SO3

sulfur(VI) oxide

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Lets look at previous examples.

It also greatly simplies the metallic cases we saw before. FeCl2 iron(II) chloride (ferrous chloride) FeCl3 iron(III) chloride (ferric chloride) Hg2 Cl2 mercury(I) chloride (mercurous chloride) HgCl2 mercury(II) chloride (mercuric chloride) MnCl2 manganese(II) chloride (manganous chloride)

ON are particularly useful when considering polyatomic anions containing oxygen

these are used as per the more electronegative portion earlier. name depends on the oxidation state of the central atom. higher oxidation number name ends in -ATE lower oxidation number name ends in -ITE SO42 sulfate ion - S(VI) CaSO4 calcium sulfate SO32 sulte ion - S(IV) (NH4) 2SO3 ammonium sulte NO3 nitrate ion - N(V) Mg(NO3 )2 magnesium nitrate NO2 nitrite ion - N(III) Mg(NO2)2 magnesium nitrite PO43 phosphate ion - P(V) Na3PO4 sodium phosphate 3 phosphite ion - P(III) PO3 Na3PO3 sodium phosphite CO3 2 carbonate ion - C(IV) CuCO3 copper carbonate 2 carbonite ion - does not exist. CO2

The same goes for polyatomic oxyhalides

Though because more oxidation states are possible, the nomenclature is extended. ON = +1 hypochlorite ion ClO ON = +3 chlorite ion ClO2 ON = +5 chlorate ion ClO3 ON = +7 perchlorate ion ClO4 Bromine and iodine series have same formul and name formats, with brom or iod in place of chlor.

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There are also lots of organic anions

But the two wed like you to know are Acetate - CH3 CO2Oxalate - C2O 42-

ONs are also used for the protonated forms - Acids!

A correct way of naming would be to use the same form as discussed previously. HCl - hydrogen chloride H2CO3 - hydrogen carbonate May also be named as acids if liquid (remember HCl is a gas!). -ate ions = -ic acid, e.g. H2SO4 = sulfuric acid -ite ions = -ous acid, e.g. H2SO3 = sulfurous acid When needed, specify number of protons attached. HPO42 = monohydrogenphosphate ion H2PO4 = dihydrogenphosphate ion HCO3 = hydrogencarbonate ion HSO4 = hydrogensulfate ion

Something you may have noticed.

Small central atom can fit around it a max. of three O atoms.

Bigger central atom can fit around it a max. of four O atoms.

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Learning Objectives
Write and balance simple chemical equations. This is covered in sections 3.1-3.2 of Blackman et al.

Equations and what they represent

There are two types of chemical equation. Physical Change - the chemical composition does not change. This is usually a change of state (solid, liquid, gas) H2O(s) H 2O(l) Chemical Change - Change in chemical composition occurs. Product(s) have new different properties. 2H2 (g) + O2(g) 2H2O(g)

Parts of a chemical equation

Chemical species

1 P 4(s) + 5O2 (g)

Coefcients

1 P 4 O 10(s)

State symbols

Chemical species are dened by a combination of atoms. The state symbols show the physical state of the species, which can affect the reaction rate, and its energy change. Coefcients are used to ensure that there are the same number of each atom on each side - matter is neither made nor destroyed. A coefcient of one is generally not shown. In balancing an equation the numbers within each chemical species CAN NOT be changed. This would be changing the identities of the chemicals involved.

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So how do your write and balance an equation?

Stepwise! Write reactants on left, products on right (this is convention). Include states of matter - (s), (l), (g) or (aq) Change coefcients to give the same count for each element on both sides - do not change subscript numbers! Balance elements that appear in one species on both sides, Balance elements that appear in several species on both sides. For reactions in water, add H2 O if needed to balance oxygen atoms. For reactions in water, add H+ if needed to balance hydrogen atoms. Give nett ionic equations if possible convey essential change. (A nett ionic equation leaves out components that are present both in the starting materials and the products see later.)

So how do your write and balance an equation?

But to be able to do this, you need to some basic skills Name translations. An understanding of the nature of solution. The rst part weve done the second is where we are now The key point to remember is that when dissolved in water, salts and acids tend to dissociate. That is, they exist as ions, surrounded by a shell of water molecules.

Hold on a second
Question: Why do these compounds dissociate? Arent they stable as they are? Weve always been told that in an ionic solid, the ions bond together strongly, due to opposite charges (e.g. Na+ and Cl). Answer: Yes the bonds are strong. But there is compensation - water molecules form strong bonds with the ions formed; this is called solvation. (you will cover this later in terms of enthalpy) - there is an increased degree of randomness, with more degrees of freedom for the solvated ions. (you will cover this later in terms of entropy)

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An example
"solid sodium hydroxide is reacted with hydrochloric acid to produce a sodium chloride solution and water"
Write reactants on left, products on right (this is convention).

H+ + Cl + NaOH Na+ + Cl + H2O

An example
"solid sodium hydroxide is reacted with hydrochloric acid to produce a sodium chloride solution and water"
Include states of matter - (s), (l), (g) or (aq)

H+(aq)

+ Cl(aq) + NaOH(s) Na+(aq) + Cl(aq) + H2O(l)

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An example
"solid sodium hydroxide is reacted with hydrochloric acid to produce a sodium chloride solution and water"
Change coefcients to give the same count for each element on both sides - do not change subscript numbers!

H+(aq) + Cl(aq) + NaOH(s) Na+(aq) + Cl(aq) + H2O(l)

Already done!

An example
"solid sodium hydroxide is reacted with hydrochloric acid to produce a sodium chloride solution and water"
Give nett ionic equations if possible convey essential change.

H+(aq)

+ Cl(aq) + NaOH(s) Na+(aq) + Cl(aq) + H2O(l) H+(aq) + NaOH(s) Na+(aq) + H2 O(l)

An example
solid sodium oxide reacts with water to give a sodium hydroxide solution"
Write reactants on left, products on right (this is convention).

Na2O

+ H2O Na+ + OH

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An example
solid sodium oxide reacts with water to give a sodium hydroxide solution"
Include states of matter - (s), (l), (g) or (aq)

Na2O(s)

+ H2O(l) Na+(aq) + OH (aq)

An example
solid sodium oxide reacts with water to give a sodium hydroxide solution"
Change coefcients to give the same count for each element on both sides - do not change subscript numbers! Balance elements that appear in one species on both sides, Balance elements that appear in several species on both sides.

Na2O(s)

+ H2O(l) 2Na+(aq) + 2OH(aq)

Hint: I nd it easiest to leave elements that appear free on one side until last. They are easiest to manipulate!

An example
solid sodium oxide reacts with water to give a sodium hydroxide solution"
Give nett ionic equations if possible convey essential change.

Na2O(s)

+ H2O(l) 2Na+(aq) + 2OH(aq) Already done!

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OK, thats great, where from here?

Balancing an equation is step 1. This gives you the stoichiometry of a process. For example, the stoichiometric ratio of the reagents in our previous case was 1:1. Na2O(s) + H2O(l) 2Na+(aq) + 2OH(aq)

But that doesnt tell you anything about how much of a substance reacts with a given amount of another substance. Thats the next step

Learning Objectives
Calculate molecular weight from chemical formula. This is covered in sections 3.3 of Blackman et al.

To start, how heavy is an atom?

Well, not very given Proton mass = 1.673 x 10-27 kg Neutron mass = 1.675 x 10-27 kg Electron mass = 9.109 x 10-31 kg A uranium-235 atom has a mass of only about 4 x 10-25 kg! Typical units are insufcient - a new unit, the atomic mass unit (symbol u) is dened to help here. = 1.660538 x 10-27 kg It is dened as one twelfth the mass of an atom of 12C. Some people still use the old term for this; the Dalton.

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Why is an atomic mass unit less than the mass of a proton?

proton mass = 1.673 x 10-27 kg atomic mass unit = 1.660538 x 10-27 kg Its about the denition - one twelfth the mass of an atom of 12C. When two or more particles combine to form a nucleus, some mass is converted to energy. Therefore the mass of nucleus is less than the sum of the mass of the number of particles in it. (This is not consistent between elements (or even isotopes of an element) and is the basis of energy release in nuclear fusion and ssion. For more details see Blackman et al., Chapter 26.)

Atomic masses - and averaging them.

For each isotope of an element you can measure the atomic mass using a spectrometer. When dealing with a bulk sample, which is a mixture of isotopes, it is better to consider the weighted average using known proportions of the isotope. This gives you the average atomic mass. * Its actually a point of argument (in chemical circles at least) what the average atomic masses of elements should be (based on the proportions of isotopes).

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An example
Copper occurs naturally as a mixture of two isotopes: 63Cu (abundance 69.09%) and 65Cu (30.91%). Their atomic masses are 62.930 amu and 64.928 amu, respectively. Calculate the average atomic mass of copper.

An example
Whenever dealing with percentages, a useful trick is to consider 100 of whatever the items are. Here, consider you have 100 atoms of natural copper. Of these, 69.09 atoms will be 63Cu, of mass = 69.09 x 62.930 amu. Similarly the mass of the 65Cu atoms will be = 30.91 x 64.928 amu. Thus, the total mass of all 100 atoms = [69.09 x 62.930 + 30.91 x 64.928] amu. = 6354.8 amu. Thus, the average atomic mass of one atom = 6354.8 /100 = 63.55 amu.

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Translating this to compounds

The molecular mass of a compound is simply the sum of the average atomic masses of the atoms present (taking into account their number). So, once again, using previous examples.

Molecular mass PCl3 = (30.97) + 3 x (35.45) = 137.3 u Molecular mass PCl5 = (30.97) + 5 x (35.45) = 208.2 u

What about systems like NaBr, which arent molecules?

Some compounds form extended lattices and arent molecules. The term formula mass is used to dene the mass of the atoms represented by the formula as written. It is determined in the same way. So, here the formula mass for NaBr = 22.99 + 79.90 = 102.9 u So what can you do from here?

Learning Objectives
Calculate % by mass of each element in a compound and determine empirical formula from % by mass. This is covered in section 3.4 of Blackman et al. From now on, we will talk about it as mass fraction (expressed as %), because its a more straightforward way to express it.

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What is this?
Literally what it sounds like mass - so deal with this quantity fraction - the ratio of the quantity for the component of interest divided by the total. expressed as % - x 100. So what is the mass fraction of hydrogen in hydrogen chloride, expressed as a percentage? The average atomic mass of hydrogen is 1.008 u The molecular mass of hydrogen chloride is (1.008 + 35.45) = 36.46 u The mass fraction of H is therefore 1.008/36.46 x 100 = 2.76%

This clearly works for more complicated systems

Cysteine is an amino acid with the molecular formula C3 H 7NO2 S. Calculate the mass fraction (as %) for each element. Check the working yourself but C - 29.74% H - 7.06% N - 11.56% O - 26.41% S - 26.47%

How is this useful?

Being able to calculate a mass fraction as a % from a molecular formula is not useful in itself but is very useful for determining molecular formula of a substance. The mass fraction can be calculated by combustion analysis (burning!) and analysing the amount of products. It is an experimental technique and the result is an empirical formula, which gives the simplest ratio of the elements present.

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Calculating an empirical formula

It is literally the reverse of determining the mass fraction. Consider an example: What is the empirical formula of a compound which has a mass fraction of C of 92.3% and a mass fraction of H of 7.7%? Start by considering the ratio by mass: C : H = 92.3 : 7.7 Then convert it to amount of substance by dividing by the average atomic masses of each species. C : H = (92.3/12.01) : (7.7/1.008) = 7.69 : 7.64 = 1 : 1 (note: rounding often needed) So the empirical formula is C1H 1.

This can be harder

What is the empirical formula of a compound which has a mass fractions of C, H, N and O of 67.3%, 6.98%, 4.62% and 21.1%, respectively? Ratio by mass: C : H : N : O = 67.3 : 6.98 : 4.62 : 21.1 Ratio by amount of sustance C : H : N : O = 5.60 : 6.92 : 0.33 : 1.32 = 17 : 20.97 : 1 : 4 = 17 : 21 : 1 : 4 So the empirical formula is C17H 21NO4 . This is cocaine!

A warning: Empirical formula only gives a ratio

Note that empirical formula only gives a ratio of the elements present. Many compounds may have the same empirical formula. Two examples are below.

Benzene has molecular formula C6H 6 but empirical formula C1 H 1 . Acetylene has molecular formula C2H 2 but empirical formula C1H 1. In order to calculate the molecular formula you need the molecular mass.

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Calculating a molecular formula - method 1

If you have the molecular mass and the empirical formula, it is quite straightforward. Again, an example. What is the molecular formula of a compound with an empirical formula C1 H 1 and a molecular mass of (a) 26 u; (b) 78 u ? First as the empirical formula is C1 H 1 then the molecular formula will be (C1H1)n . As a result the molecular mass will be (12.01 + 1.008)n = 13.018 n (a) 13.018 n = 26 therefore n = 26/13.018 = 2 (note rounding!) so molecular formula is (C1H1)2 = C2H 2 (b) 13.018 n = 78 therefore n = 78/13.018 = 6 (note rounding!) so molecular formula is (C1H1)6 = C6H 6

Calculating a molecular formula - method 2

If you have the molecular mass and the mass fraction, you can skip the empirical formula stage. What is the molecular formula of a compound with mass fractions of C, H, N and O of 67.3%, 6.98%, 4.62% and 21.1%, respectively, and a molecular mass of 303.5 u? For each element, you can calculate the mass per molecule and hence the number of atoms of that element.
C - 67.3% of 303.5 = 204.2 u H - 6.98% of 303.5 = 21.17 u N - 4.62% of 303.5 = 14.01 u O - 21.1% of 303.5 = 64.01 u No. of atoms C = (204.2/12.01) = 17 No. of atoms H = (21.17/1.008) = 21 No. of atoms N = (14.01/14.01) = 1 No. of atoms O = (64.01/16.00) = 4

So the molecular formula is C17H21NO4 (Note that here it is the same as the empirical formula!)

How does all of this translate to real world masses?

The atomic mass unit is convenient - but were unlikely to be able to measure something out in it. How do we convert it to something more practical - again, its a new unit. An atomic mass unit is dened as one twelfth the mass of an atom of carbon-12 A mole is the amount of substance of a system which contains as many elementary entities as there are atoms in 0.012 kilogram of carbon-12. When the mole is used, the elementary entities must be specied and may be atoms, molecules, ions, electrons, other particles, or specied groups of such particles.

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Amount of substance
So the mole measures how much substance is there - an amount. The denitions are convenient. The mass of a particle (molecule, atom) in atomic mass units converts to the mass of one mole of those particles in grams. e.g. 1 mole of Fe (55.84 u) weighs 55.84 g Another way of expressing this is as a molar mass (M) - the molar mass of Fe is 55.84 g mol-1

One mole of a substance contains a lot of entities.

One mole of a substance contains the same number of entities as there are atoms in 0.012 kilogram of carbon-12. This corresponds to a number youve probably all heard of that being Avogadros Number = 6.022 x 1023. Something to try - work out how many entities are present in 1 g of a variety of substances (Hg, ethanol (C2H 5OH), NaCl).

What do you measure to determine the amount of a substance?

If its a solid - measure a mass and divide by the molar mass. If its a liquid - measure a volume, convert to a weight using density (g cm-3) and divide by the molar mass. If its a gas - a number of ways well talk about next week but you can even just measure a mass and divide by the molar mass. What about a substance (the solute) dissolved in a liquid (the solvent) to form a solution for this we need to understand concentration.

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Learning Objectives
Calculate concentration of solutions in various units. This is covered in section 3.6 of Blackman et al.

There are different ways to measure concentration

BUT in each case, it can be related to a property that measures the amount of substance. In the following examples, how to calculate the concentration of a solution from the amount of substance in different ways will be shown. You are strongly encouraged to try the reverse; to calculate the amount of substance in an amount of solution of known concentration. Note the UNITS in each case. It is often expressed as cA or [A].

One example in lots of ways

Consider: A concentrated solution of NH3 in water contains 256 g of NH3 per litre of solution; the solution has a density of 0.880 g ml1 1. Mass fraction as a percentage. This is (mass of solute)/(mass of solution) x 100 In this case, if we consider 1 l of solution (256 g) / (0.880 g ml-1 x 1000 ml) x 100 = 29.0 %

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One example in lots of ways

Consider: A concentrated solution of NH3 in water contains 256 g of NH3 per litre of solution; the solution has a density of 0.880 g ml1 2. Mole fraction () This is (amount of solute)/(amount of solute + amount of solvent) In this case, if we consider 1 l of solution Amount of ammonia = 256 g = (256)/(14.01 + 3 x 1.008) = 15.1 moles Amount of water = 624 g = (624)/(16.00 + 2 x 1.008) = 34.7 moles Mole fraction = (15.1)/(15.1 + 34.7) = 0.303

One example in lots of ways

Consider: A concentrated solution of NH3 in water contains 256 g of NH3 per litre of solution; the solution has a density of 0.880 g ml1 3. Molality. This is (amount of solute)/(mass solvent) In this case, if we consider 1 l of solution amount of ammonia = 15.1 moles (from before) Mass of solution = 880 g = 0.880 kg, Mass of solvent = 0.624 kg Molality of ammonia in this solution = 15.1/0.624 = 24.1 mol kg-1

One example in lots of ways

Consider: A concentrated solution of NH3 in water contains 256 g of NH3 per litre of solution; the solution has a density of 0.880 g ml1 4. Molarity. This is (amount of solute)/(volume of solution) In this case, if we consider 1 l of solution amount of ammonia = 15.1 moles (from before) Molarity of ammonia in this solution = 15.1/1 = 15.1 mol l-1 (M)

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A note
Remember that some species dissociate in water. As a result, you may be able to express the concentration in terms of the individual species. For example, if CaBr2 were dissolved in water to give a solution with a concentration of of 0.5 M. This solution would contain Ca2+(aq) at a concentration of 0.5 M and Br-(aq) at a concentration of 1 M.

Learning Objectives
Calculate yield in a chemical reaction, determine the limiting reagent. This is covered in sections 3.6 of Blackman et al. All that we have been talking about up until here leads to this. Why? Because we need to be able to determine how much (in a quantity we measure - g) of a reactant will react with another reagent.

Lets make ethanol.

Ethanol can be made industrially by hydrating ethene. The reaction is as below - the stoichiometric ratio is 1:1. C2H 4(g) + H2 O(g) C2H5OH(g)

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Lets make ethanol.

Ethanol can be made industrially by hydrating ethene. The reaction is as below - the stoichiometric ratio is 1:1. C2H 4(g) + H2 O(g) C2H5OH(g)

Lets make ethanol.

But what happens if there are more molecules of water then theyre leftover at the end.

Here water is referred to as being in excess and the ethene is referred to as being the limiting reagent.

Lets make ethanol.

In the previous case, all of the ethene would react, leaving the excess water. The amount of ethanol is therefore determined by the amount of ethene (not the amount of water) - you consider the limiting reagent. This allows you to calculate a theoretical yield; by rst determining the amount of each reagent, working out the limiting reagent and hence the theoretical amount of ethanol formed. For example, what is the theoretical yield of ethanol (in g) if 50 g of water and 270 g of ethene were reacted together.

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Lets make ethanol.

First - the equation C2H 4(g) + H2 O(g) C2H5OH(g) So the stoichiometric ratio is 1:1 - one molecule of water reacts with one molecule of ethene. 50 g of water = 50/18.016 = 2.78 moles of water 270 g of ethene = 270/28.052 = 9.62 moles of ethene Therefore, in this case water is the limiting reagent and ethene is in excess. The amount of product is determined by the amount of water. Amount of product = 2.78 moles = 2.78 x (46.07) = 128 g

Different yields
Note that this is a theoretical yield - it assumes that - no material is lost in isolation of the product, - no side reactions consume ethene, and - the equilibrium lies far to the direction of the products. In practice, the rst is the major loss of yield. The actual yield is how much is isolated. The percentage yield = actual yield/theoretical yield x 100. Note that this is always 100%.

Another example
A sample of solid magnesium (2.05 g) was added to a solution of hydrochloric acid (50.0 ml, 2.00 M) to produce a magnesium chloride solution and hydrogen gas. The hydrogen gas was collected and 0.084 g was isolated. (a) Determine the limiting reagent. (b) Calculate the theoretical yield of hydrogen gas. (c) Calculate the percentage yield of hydrogen gas.

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Another example
First - the equation Mg(s) + 2H+(aq) Mg2+(aq) + H2(g) So the stoichiometric ratio is 1:2 - one atom of magnesium reacts with two hydrogen ions. 2.05 g of Mg = 2.05/24.31 = 0.0843 moles of Mg 50 ml of 2.00 M HCl(aq) corresponds to 50 x 10-3 x 2.00 = 0.100 moles of H + Because the stoichiometric ratio is 1:2, the H + is the limiting reagent. Here, 0.100 moles of H+ react with 0.050 moles of Mg (leaving 0.0343 unreacted) to give 0.050 moles of H 2 (g).

Another example
Hence the theoretical yield of H2(g) is 0.050 moles or 0.050 x (2 x 1.008) = 0.101 g Therefore, the percentage yield = (0.084/0.101) x 100 = 83%

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