CHU11E05 Chemistry – Lecture 2

CHU11E05 – Chemistry

Part I – Introduction to Atomic Structure

& Bonding

Lecture 2

Prof. Dónall A. Mac Dónaill dmcdonll@tcd.ie

CHU11E05 Chemistry – Lecture 2

II-1 Recap: Dalton’s Atomic Theory

• All matter consists of atoms

• An atom is the smallest particle of an element

that retains the characteristic chemical
properties of that element.

• Atoms of one element cannot be converted

to another element (transmutation is not
possible!)

• All atoms of the same element have the same

mass and chemical properties; atoms of
different elements have different masses and
chemical properties.

• During chemical reactions atoms are

conserved. They cannot be created or
destroyed.

https://commons.wikimedia.org/w/index.php?curid=6204781

CHU11E05 Chemistry – Lecture 2

Recap: Structure of the Atom
Neutron, n0 e-
(no charge) (neg. charge)

Electron:
< 10 x 10-18 m

Nucleus:
~ 5 x 10-15 m
Atom: ~ 1 x 10-10 m

Proton, p+
(positive charge)
http://www.nuclear-power.net/
CHU11E05 Chemistry – Lecture 2
Recap: Atomic Number and Mass Number

The atomic number (Z) of an element equals the number of protons in

the nucleus. For a neutral atom it is also the number of electrons.

The mass number (A) of an element equals the total number of protons
and neutrons in the nucleus.

CHU11E05 Chemistry – Lecture 2

Recap: Periodic Table

An arrangement of
elements in order of
increasing atomic number

Atomic number
Atomic symbol

Atomic Mass
CHU11E05 Chemistry – Lecture 2
Recap: Atomic Masses of the Elements

The masses of atoms are measured relative to the mass of an atomic

standard

The standard used is the 12C atom whose mass is defined as exactly 12
atomic mass units

The atomic mass unit (amu), or Dalton, is 1/12 the mass of a 12C atom

This is typically used as a unit of relative mass

e.g. 1H has a mass of 1.008 amu

1 amu has an absolute mass of 1.66054 x 10-27 kg

CHU11E05 Chemistry – Lecture 2

Recap: Isotopes and Atomic Mass

Isotopes of an element are atoms that have different numbers of

neutrons and therefore different mass numbers

Carbons isotopes labelled 12C, 13C and 14C

The chemical properties of elements are primarily dependent on the

number of electrons – so isotopes will have near identical chemical
behaviour albeit with different masses

*Note: The atomic mass (or atomic weight) reported in the periodic
table is averaged over all the stable isotopes and weighted
according to their relative abundance.

CHU11E05 Chemistry – Lecture 2

II-2 Mass Spectrometry

Powerful technique for measuring the mass and abundance of charged

particles from their mass/charge ratio (m/e)

• High energy electrons bombard a sample creating positively charged

particles
• These are attracted towards a series of negatively charged plates
• The particles paths are bent by a magnetic field which separates them by
m/e
• At then end of the magnetic region the particles strike a detector which
counts their relative positions and abundance

CHU11E05 Chemistry – Lecture 2

Mass Spectrometry(ii)

Strontium <
Strontian <
Sròn an t-Sìthein
srón = nose
sithean = ‘fairy knoll’
https://www.youtube.com/watch?v=1cAA71GpDig

CHU11E05 Chemistry – Lecture 2

Mass Spectrometry and Atomic Mass

Mass spectrometry can tell us the mass and relative abundance of different
isotopes – we can use this to obtain the atomic mass

The atomic mass of an element is the average of its naturally occurring

isotopes weighted according to their abundance.

The atomic mass is an average value – no individual atom will have this exact
mass but we consider samples to consist of atoms with this average mass

Atomic number
Atomic symbol

Atomic Mass
CHU11E05 Chemistry – Lecture 2
Mass Spectrometry and Atomic Mass (ii)

Q: Calculate the atomic mass of C given that 12C and 13C have masses
of 12 amu and 13.0034 amu. 13C constitutes 1.1% and the rest is 12C.

Atomic mass = (12 x 0.989)+(13.0034 x 0.011) = 12.011 amu

CHU11E05 Chemistry – Lecture 2

Mass Spectrometry and Atomic Mass (iii)

Q: Boron has two naturally occurring isotopes. Find the % abundances of 10B
and 11B given that:

(i) atomic mass of B = 10.81 amu,

(ii) isotopic mass of 10B = 10.0129 amu and
(iii) isotopic mass of 11B = 11.0093 amu

As these are the only stable isotopes the sum of the fractional abundances is 1

Fractional abundance of 10B = x, of 11B = (1 – x)

10.0129x + (1 - x)11.0093 = 10.81

Solve to get x = 0.2

So 10B = 20%, 11B = 80%

CHU11E05 Chemistry – Lecture 2

Mass Spectrometry and Atomic Mass (iv)

Q: Mass spectrometry of an unknown pure element yielded the following

data. Determine the identity of the element

mass (amu) Isotopic abundance (%)

73.92 0.86
75.92 9.23
76.92 7.6
77.92 23.69
79.92 49.8
81.92 8.82

(73.92 x 0.0086) + (75.92 x 0.0923) + (76.92 x 0.076)

(77.92 x .2369) + (79.92 x 0.498) + (81.92 x 0.0882)
=78.97

CHU11E05 Chemistry – Lecture 2

Mass Spectrometry and Atomic Mass (iii)

CHU11E05 Chemistry – Lecture 2

II-3 “The Mole”

The number NA can be measured :

NA = 6.02214076 x 1023

(Avogadro’s Number) and gives a “unit” or “amount of substance” known as

“the mole” [Etymology: < German Mol, shortened < Molekül = molecule. OED]

This is the SI unit for amount of substance

Until 2019, It was defined as the amount of substance that contains the same
number of entities as the number of atoms in 12 g of carbon-12 (12C)
i.e. 1 mol of carbon-12 contains 6.02214076 x1023 carbon-12 atoms and has a
mass of 12 g [In principle this number could change - further decimal places]

Since 2019: The mole, symbol mol, is the SI unit of amount of substance. One
mole contains exactly 6.022 140 76 x 1023 elementary entities. This number is the
fixed numerical value of the Avogadro constant, NA, when expressed in the unit
mol–1 and is called the Avogadro number.

CHU11E05 Chemistry – Lecture 2

“The Mole” (ii)

The mass of 1 mole of atoms of an element has the same numerical value as
the atomic mass (or atomic weight)

e.g. H = 1.008; C = 12.001; O = 15.9994; Cl = 35.453

– but in units of g/mol

No. atoms of hydrogen (weighing 1.008 g) is 1 mole of hydrogen atoms.

CHU11E05 Chemistry – Lecture 2

“The Mole” (iii)

• The mole is a number which makes it easier for chemists to consider

large numbers of atoms or molecules.

• It helps to bridge the gap between the atomic scale and

macroscopic quantities of material. Remember, 1 amu has an
absolute mass of 1.66054 x 10-27 kg

• 18g of H2O (18 mL or ml), roughly 3.5 teaspoons of water, contains 1

mole of H2O molecules, or 6.022 x 1023 molecules

• 1 mole of “doughnuts” would cover the entire earth up to

a depth of 8 km

More analogies etc. can be found here

https://ed.ted.com/lessons/daniel-dulek-how-big-is-a-mole-not-the-animal-the-other-one

CHU11E05 Chemistry – Lecture 2

Molar Mass

The molar mass of a substance is the mass per mole of its

entities (atoms, molecules) and has units of g/mol.

Elements: look up the atomic mass and note whether the

element is monatomic or molecular

Monatomic elements: The molar mass is the periodic table

value (atomic mass) in units of grams per mole.

e.g. C = 12 g/mol; Na = 23 g/mol

Molecular elements: One must know the correct formula to

determine the molar mass. In air, oxygen exists predominantly
as diatomic molecules (O2) so the molar mass is twice that of O

e.g. O2 = (2 x 16) g/mol = 32 g/mol

CHU11E05 Chemistry – Lecture 2

Converting from Atomic Mass to Molar Mass

The atomic mass and molar mass for each element will have the same
numerical value but different units

Atomic mass – units: amu or Dalton

Molar mass – units: g/mol

CHU11E05 Chemistry – Lecture 2

Molar Mass (ii)

Compounds: The molar mass is the sum of the molar masses of

the atoms in the formula – in units of g/mol

e.g. NH3 = (14 + (3 x 1)) g/mol = 17 g/mol

Molar mass Molar mass

of N of H

e.g. NaCl = (23 + 35.5) g/mol = 58.5 g/mol

Molar mass Molar mass

of Na of Cl

*Note: I’m using rounded values of the atomic masses here for
simplicity

CHU11E05 Chemistry – Lecture 2

Molar Mass (iii)

Q: What is the molar mass of glucose, C6H12O6

Compounds:

The molar mass is the sum of the molar masses of the atoms in the
formula – in units of g/mol

C6H12O6 = (6 x 12.001) + (12 x 1.008) + (6 x 15.999) g/mol

= 180.156 g/mol
C
H O

CHU11E05 Chemistry – Lecture 2

Molar Mass (iv)

Q: What is the mass percent of nitrogen in ammonium nitrate

(NH4NO3)?

2 x N → 2 x 14.007

4 x H → 4 x 1.008

3 x O → 3 x 15.999

Total mass = 80.043 g/mol

Mass percent of N is (2 x 14.007)/80.043 = 0.35 = 35%

CHU11E05 Chemistry – Lecture 2

Converting Between Amount, Mass and Number of Entities

Q: How many grams of Sodium (Na) are in 0.05 mol of Na?

From periodic table molar mass of Na = 22.99 g/mol

Mass in g = (0.05 mol x 22.99 g/mol) = 1.15 g

(Note ‘mol’ cancelling in units to give grams in answer)

Q: How many Silver (Ag) atoms are in 6.3 x 10-3 mol of Ag

Simply multiply by Avogadro’s number, NA

No of atoms = (6.3 x 10-3) x (6.022 x 1023)

= 3.8 x 1021 atoms

CHU11E05 Chemistry – Lecture 2

II-4 Molecules and “The Mole” (i)

• In H + Cl → HCl, the product consists of H

& Cl atoms paired together to give HCl
pairs. Such aggregates of atoms are
called molecules.

• A molecule is the smallest independent

neutral particle of an element or
compound capable of independent
existence in the gas phase.

• A molecule is an aggregate of at least

two atoms in a definite arrangement held
together by chemical forces.

* Molecules, and the associated chemical

bonding will be covered in later lectures

CHU11E05 – Lecture 2 CHU11E05 Chemistry – Lecture 2

Molecules and “The Mole” (ii)

Some examples of molecules

O2 – oxygen in air N2 – nitrogen in air

H2O – water CO2 – carbon dioxide

C2H5OH – ethanol C6H12O6 – glucose

Note 1: Subscripts multiply the species that comes before

them, i.e. a molecule of ethanol contains 2 carbon atoms, 6
hydrogen atoms and one oxygen atom

Note 2: NaCl (sodium chloride, or salt) does not exist as

molecules – we will cover this in more detail in later lectures

CHU11E05 Chemistry – Lecture 2

Molecules and “The Mole” (iii)

• One needs to be careful to distinguish between atoms and

molecules.

e.g. molecules of H/Cl/O consist of two atoms of the

element…….i.e. H2, O2, Cl2

• So, statements such as “1 mole of hydrogen” are

ambiguous, unless the context makes it clear one needs to
specify the entity

1 mole of H = 1 mole of H atoms and weighs 1g

1 mole of H2 = 1 mole of H2 molecules and weighs 2g

CHU11E05 Chemistry – Lecture 2

Atoms, Molecules and the Mole

• When using chemical symbols, the meaning must be taken

from the context.

e.g. H may mean the element hydrogen; one atom of

hydrogen or 1 mole of hydrogen atoms

H2O may mean water, one molecule of water or 1

mole of water molecules

CHU11E05 Chemistry – Lecture 2

Chemical Formulae

• For any substance, the empirical formula is the simplest

whole number ratio of the atoms combining to make up the
pure substance
(e.g. the empirical formulae of hydrogen, helium, hydrogen
peroxide and ethane are H, He, HO and CH3 respectively)

• The molecular formula gives the actual numbers of each

kind of atom present in a single molecule of any molecular
substance
(e.g. H2, He, H2O2 and C2H6 for the same four substances)

• The “structural” formula is the molecular formula rewritten to

give some further information about the structure of the
molecule
(e.g. H3CCH3 for ethane; CH3CH2OH for ethanol)

CHU11E05 Chemistry – Lecture 2

Chemical Formulae (ii)

Q: An unknown compound contains 0.062 mol of carbon, 0.124 mol of

hydrogen and 0.124 mol of nitrogen. Determine its empirical formula

- Use fractions to write preliminary formula

C0.062H0.124N0.124

- Divide each subscript by the smallest one, in this case 0.062

CH2N2 this is the empirical formula

CHU11E05 Chemistry – Lecture 2

Chemical Formulae (iii)

Q: If the compound in the last question has a molar mass of 126 g/mol
what is the molecular formula?

Molecular formula must be integer multiple of empirical formula

Molar mass of CH2N2 = (1 x 12)+(2 x 1)+(2 x 14) = 42

Molar mass Molar mass

of C Molar mass of N
of H

126/42 = 3

Molecular formula = 3 x (CH2N2)

= C3H6N6

CHU11E05 Chemistry – Lecture 2

Chemical Equations

e.g. H2 + Cl2 → 2 HCl

& 2H2 + O2 → 2 H2O

A convenient shorthand to describe the changes that occur during a

chemical reaction - and the basis for stoichiometric calculations (i.e.
“chemical arithmetic”)

Etymology: < Greek στοιχεῖον (stoicheion) element + -metry (OED)

Form of equation :

Reactants = Products
or Reactants → Products

CHU11E05 Chemistry – Lecture 2

Chemical Equations (ii)

Consider the following:

H2 + O2 → H2O (1)

(1) is not a valid chemical equation because it is unbalanced.

Since atoms must be conserved, all H and O atoms in reagents

must be present in products (and vice versa).

In this case, “balancing” is simple - addition of extra mole of

product (to equalize with O in reagent) requires extra mole of
H2

2 H2 + O2 → 2 H2O In this example the

stoichiometric coefficients
are 2 for H2 and H2O and 1
for O2 (which is omitted)
Stoichiometric Coefficients

CHU11E05 Chemistry – Lecture 2

Chemical Equations (iii)

2H2 + O2 → 2H2O (2)

• This means that

- 2 moles of H2 react with 1 mole of O2 to produce 2 moles of H2O
- Or, 4 g of H2 react with 32 g of O2 to produce 36 g of H2O

• Q: How many moles of O2 react with one mole of H2 & what is

produced?

• A: H2 + ½ O2 → H2O (3)

• Note that (3) is just as valid as (2). The ratios of the stoichiometric
coefficients are the same in (2) and (3). It is only these ratios that
have a fundamental importance in a balanced chemical
equation. That said, equations are generally written with the
smallest whole number coefficients.

CHU11E05 Chemistry – Lecture 2

Chemical Equations (iv)

A balanced chemical equation tells us the relative molar ratio (i.e.

relative numbers of moles – and therefore relative amounts by mass)
of reagents consumed and products produced during a chemical
reaction.

The equation gives no information on

(a)The way the reaction takes place at the molecular/atomic level

(and so eqn. (2) does not imply that 2 molecules of hydrogen
react with one molecule of oxygen)

(b)The rate of the reaction

CHU11E05 Chemistry – Lecture 2

Writing and Balancing Chemical Equations

Steps for writing and balancing a chemical equation

1) Reagents are written on left hand side, products are written on

right hand side, a yield arrow pointing from reactants to products
is placed in between

e.g. for the reaction between Ca and O2 to form CaO

Ca + O2 → CaO

CHU11E05 Chemistry – Lecture 2

Writing and Balancing Chemical Equations (ii)

Steps for writing and balancing a chemical equation

2) Match the numbers of each type of atom on the left and the right
of the yield arrow (i.e. reactants and products). Do this by placing
stoichiometric coefficients, which act as numerical multipliers of all
the atoms in the formula that follow them

e.g. for the reaction between Ca and O2 to form CaO

Ca + 1/2O2 → CaO

CHU11E05 Chemistry – Lecture 2

Writing and Balancing Chemical Equations (iii)

Steps for writing and balancing a chemical equation

3) Adjust the coefficients: Generally the smallest whole number

coefficients are preferred

e.g. for the reaction between Ca and O2 to form CaO

2Ca + O2 → 2CaO

4) Double check that the equation is balanced

CHU11E05 Chemistry – Lecture 2

Writing and Balancing Chemical Equations (iv)

Q: Sodium reacts violently with water forming sodium hydroxide and

hydrogen gas. Balance the chemical equation

Na + H2O → NaOH + H2

Na + H2O → NaOH + 1/2H2

or 2Na + 2H2O → 2NaOH + H2

CHU11E05 Chemistry – Lecture 2

Writing and Balancing Chemical Equations (v)

Q: Hexane (C6H14) combusts in the presence of oxygen forming water

and carbon dioxide. Balance the chemical equation

C6H14 + O2 → CO2 + H2O

C6H14 + 19/2O2 → 6CO2 + 7H2O

or 2C6H14 + 19O2 → 12CO2 + 14H2O

CHU11E05 Chemistry – Lecture 2

Writing and Balancing Chemical Equations (vi)

Q: Aluminium hydroxide, Al(OH)3, is used to treat acid indigestion. It

reacts with hydrochloric acid, HCl, forming aluminium chloride, AlCl3,
and water. Balance the chemical equation

Al(OH)3 + HCl → AlCl3 + H2O

Al(OH)3 + 3HCl → AlCl3 + 3H2O

CHU11E05 Chemistry – Lecture 2