Atomic Structure and Mass Spec

4/7/20
Atomic structure and mass spec
Refresh:
Objectives:
Keywords/ processes
Proton
Grade 4 Grade 5 Grade 6 Electron
Neutron
Mass spectroscopy
• State the • Describe the • Calculate the Ionisation
relative four stages average Acceleration

Deflection
masses of of mass relative Detection
subatomic spectroscopy atomic mass

particles and for mass
interpret spectrometry
symbols data
Recall &
Describe & explain Apply and evaluate
remember
THE STRUCTURE OF ATOMS
• Atoms consist of a number of fundamental particles, the most
important are ...
Relative Relative
Mass / kg Charge / C
mass charge
PROTON
NEUTRON
ELECTRON
Objective: • State the relative masses of subatomic particles and interpret symbols
THE STRUCTURE OF ATOMS
• Atoms consist of a number of fundamental particles, the most
important are ...
Relative Relative
mass charge
1.672 x 10-27 1.602 x 10-19 1 +1
PROTON
1.675 x 10-27 0 1 0
NEUTRON
9.109 x 10-31 1.602 x 10-19 1/ 1836 -1

ELECTRON
• State the relative masses of subatomic particles and interpret symbols

Objective:
Application
• Calculate the mass of a carbon-12 atom; it has 6 protons, 6 neutrons and 6
electrons:
Relative Relative
mass charge
1.672 x 10-27 1.602 x 10-19 1 +1
PROTON
1.675 x 10-27 0 1 0
NEUTRON
9.109 x 10-31 1.602 x 10-19 1/ 1836 -1

ELECTRON
Application
• Calculate the mass of a carbon-12 atom; it has 6 protons, 6 neutrons and 6
electrons:
• 6 x 1.672 x 10-27 + 6 x 1.675 x 10-27 + 6 x 9.109 x 10-31 = 2.0089 x 10-26 kg
Relative Relative
mass charge
1.672 x 10-27 1.602 x 10-19 1 +1
PROTON
1.675 x 10-27 0 1 0
NEUTRON
9.109 x 10-31 1.602 x 10-19 1/ 1836 -1

ELECTRON
Mass Number and Atomic number
• Atomic Number (Z): Number of protons in the nucleus of an atom
• Mass Number (A): Sum of the protons and neutrons in the nucleus
Questions
• Copy and complete the table
Atomic Mass
Protons Neutrons Electrons Charge Symbol
Number Number
A 19 21 19
B 20 0 40
C + 11 23
D 6 6 0
E 92 0 235
F 6 13
G 16 2- 16
H 27
Al3+
Answers
Atomic Mass
Protons Neutrons Electrons Charge Symbol
Number Number
A 19 21 19 0 19 40 40
K
B 20 20 20 0 20 40 40
Ca
C 11 12 10 + 11 23 23
Na+
D 6 6 6 0 6 12 12
C
E 92 143 92 0 92 235 235

U
F 6 7 6 0 6 13 13
C
G 16 16 18 2- 16 32 32
S2-
H 13 14 10 3+ 13 27 27
Al3+
Relative masses
Relative Atomic Mass (Ar)
• The mass of an atom relative to the 12
C isotope having a value of 12.000
Relative Isotopic Mass

• Similar, but uses the mass of an isotope 238
U
Relative Molecular Mass (Mr)

• Similar, but uses the mass of a molecule CO2, N2
Relative Formula Mass

• Used for any formula of a species or ion NaCl, OH¯
Isotopes
Definition:
Atoms with…
The same number of protons but different numbers of neutrons.
Properties:
Chemical properties of isotopes are identical Isotopes of Hydrogen
Physical properties (such as density) can differ
Protons Neutrons
Theory:
1 1 0
Relative atomic masses measured by chemical methods rarely produce H
1
whole numbers but they should do (allowing for the low relative mass of
the electron). This was explained when the mass spectrograph revealed 2 1 1
that atoms of the same element could have different masses due to the H
1
variation in the number of neutrons in the nucleus. The observed mass
was a consequence of the abundance of each type of isotope. 3 1 2
H
1
Mass Spectroscopy
The first mass spectrometer was built in 1918 by Francis W Aston, a student of J J Thomson, the
man who discovered the electron. Aston used the instrument to show that there were different
forms of the same element. We now call these isotopes:
In a mass spectrometer, particles are turned into positive ions, accelerated and then deflected by
an electric or magnetic field. The resulting path of ions depends on their ‘mass to charge’ ratio
(m/z).
Particles with a large m/z value are deflected least
those with a low m/z value are deflected most.
The results produce a mass spectrum which portrays the different ions in order of their m/z value.
Mass spectrometry was initially used to show the identity of isotopes.

It is now used to calculate molecular masses and characterise new compounds
• Describe the four stages of mass spectroscopy
Mass Spectrometer
A mass spectrometer consists of ... an ion source, an analyser and a detector.
ANALYSER
DETECTOR
ION SOURCE
Mass Spectrometer
ION SOURCE
DETECTOR
ANALYSER
Ionisation: gaseous atoms are bombarded by electrons from an electron gun and are
ionised.
Acceleration: ions are charged so can be accelerated by an electric field
Deflection: charged particles will be deflected by a magnetic or electric field
Detection: by electric or photographic methods
Mass Spectrometer
The radius of the path depends on the value of the mass/charge ratio (m/z)
• Ions of heavier isotopes have larger m/z values so follow a larger radius curve
• As most ions are 1+charged, the amount of separation depends on their mass
• If an ion acquires a 2+ charge it will be deflected more; its m/z value is halved
Mass Spectra – calculating reative atomic
An early application was the demonstrationmass
by Aston, (Nobel Prize, 1922), that naturally occurring
neon consisted of 3 isotopes... 20Ne 21Ne 22
Ne.
90.92
• positions of peaks gives atomic mass
Abundance / %
• peak intensity gives relative abundance
• highest abundance is scaled up to 100%
• other values are adjusted accordingly.
8.82
0.26
19 20 21 22 23 m/z
Calculate the average relative atomic mass of neon using the above information.
Question: example
Calculate the average relative atomic mass of neon the above information.
• Out of every 100 atoms 90.92 are 20Ne , 0.26 are 21Ne and 8.82 are Ne
22
• Average = (90.92 x 20) + (0.26 x 21) + (8.82 x 22) = 20.179

• 100
• Relative atomic mass = 20.18
90.92
Basically:
multiply each relative mass by its abundance
Abundance / %
add up the total of these values
divide the result by the sum of the abundances
8.82
0.26
19 20 21 22 23 m/z
• Calculate the average relative atomic mass for mass spectrometry data
Question: you try
• Calculate the average relative atomic mass of chlorine atoms
Protons Neutrons %
35 17 18 75
17
Cl
37
17
Cl 17 20 25
Method:
Out of every 100 atoms 75 are 35Cl and 25 are 37
Cl
Average = (75 x 35) + (25 x 37) = 35.5
100
Question – Calculating isotopic abundance
Naturally occurring potassium consists of potassium-39 and potassium-41. Calculate the
percentage of each isotope present if the average is 39.1.
Assume there are x nuclei of 39

K in every 100; so there will be (1-x) of 41
K
39x + 41 (1-x) = 39.1
39 x + 41 - 41x = 39
- 2x = - 1.9
- x = 0.95
95% 39
K and 5% 41
K
Question – Calculating isotopic abundance
Naturally occurring potassium consists of potassium-39 and potassium-41. Calculate the
percentage of each isotope present if the average is 39.1.
Assume there are x nuclei of 39

K in every 100; so there will be (1-x) of 41
K
39x + 41 (1-x) = 39.1
39 x + 41 - 41x = 39
- 2x = - 1.9
- x = 0.95
95% 39
K and 5% 41
K
Other uses of mass spectrometry – Mr
determination
Mass spectrometry is used to identify unknown or new
compounds.
When a molecule is ionised it forms a molecular ion which IONISATION
can also undergo fragmentation or Re-arrangement

to produce particles of smaller mass. MOLECULAR ION
FRAGMENTION
Only particles with a positive charge will be deflected and

detected.
The resulting spectrum has many peaks. RE-ARRANGEMENT FRAGMENTION
The final peak (M+) shows the molecular ion (highest m/z
value) and indicates the molecular mass. The rest of the
spectrum provides information about the structure.
Mass spectrum of C2H5Br
• The final peak in a mass spectrum is due to the molecular ion. In this case there are
two because Br has two main isotopes. As each is of equal abundance, the peaks are
the same size.
molecular ion contains...79Br 81

Br
Questions to complete
• 1. Practice - atomic symbols
• 1. Questions - Atoms and Isotopes
• 1. Questions 2 – Ar Mr and mass spec
• 1. Questions - Nuclear atom

Atomic Structure and Mass Spec

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Atomic Structure and Mass Spec

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4/7/20

Atomic structure and mass spec

relative four stages average Acceleration

subatomic spectroscopy atomic mass

9.109 x 10-31 1.602 x 10-19 1/ 1836 -1

• State the relative masses of subatomic particles and interpret symbols

9.109 x 10-31 1.602 x 10-19 1/ 1836 -1

9.109 x 10-31 1.602 x 10-19 1/ 1836 -1

E 92 143 92 0 92 235 235

Relative Isotopic Mass

Relative Molecular Mass (Mr)

Relative Formula Mass

Mass spectrometry was initially used to show the identity of isotopes.

Acceleration: ions are charged so can be accelerated by an electric field

Deflection: charged particles will be deflected by a magnetic or electric field

Detection: by electric or photographic methods

• Average = (90.92 x 20) + (0.26 x 21) + (8.82 x 22) = 20.179

Assume there are x nuclei of 39

Assume there are x nuclei of 39

When a molecule is ionised it forms a molecular ion which IONISATION

can also undergo fragmentation or Re-arrangement

Only particles with a positive charge will be deflected and

The resulting spectrum has many peaks. RE-ARRANGEMENT FRAGMENTION

molecular ion contains...79Br 81

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