1a.atomic Structure of Quantum Mechnc

Chemistry: A Molecular Approach, 1st Ed.
Nivaldo Tro
The QuantumMechanical
Model of the
Atom
Roy Kennedy
Massachusetts Bay Community College
Wellesley Hills, MA
2007, Prentice Hall
Modified by
Kristian H. Sugiyarto
The Behavior of the Very Small

electrons are incredibly small
a single speck of dust has more electrons than the
number of people who have ever lived on earth
electron behavior determines much of the
behavior of atoms
directly observing electrons in the atom is
impossible, the electron is so small that
observing it changes its behavior
Tro, Chemistry: A Molecular Approach
What is this ?
Extreme (1)
(5)
(2)
(3)
(6)
(7)
(4)
Extreme (8)
Extreme (1)
particle?
(2)
(3)
(5)
(6)
(7)
(4)
Extreme (8)
wave??
A Theory that Explains Electron Behavior

the quantum-mechanical model explains the manner
electrons exist and behave in atoms

helps us understand and predict the properties of atoms
that are directly related to the behavior of the electrons
why some elements are metals while others are nonmetals
why some elements gain 1 electron when forming an anion,
while others gain 2
why some elements are very reactive while others are
practically inert
and other Periodic patterns we see in the properties of the
elements
The Nature of Light

its Wave Nature
light is a form of electromagnetic radiation
composed of perpendicular oscillating waves, one for the
electric field and one for the magnetic field
an electric field is a region where an electrically charged particle
experiences a force
a magnetic field is a region where an magnetized particle experiences
a force
all electromagnetic waves move through space at the

same, constant speed
3.00 x 108 m/s in a vacuum = the speed of light, c
Speed of Energy Transmission
10
Electromagnetic Radiation
11
Characterizing Waves
the amplitude is the height of the wave
the distance from node to crest
or node to trough
the amplitude is a measure of how intense the light

is the larger the amplitude, the brighter the light
the wavelength, () is a measure of the distance

covered by the wave
the distance from one crest to the next

or the distance from one trough to the next, or the
distance between alternate nodes
12
Wave Characteristics
13
Wave animation
14
Properties of Waves
Wavelength () is the distance between identical points on

successive waves.
Amplitude is the vertical distance from the midline of a
wave to the peak or trough.
7.1
Properties of Waves
Frequency () is the number of waves that pass through a

particular point in 1 second (Hz = 1 cycle/s).
The speed (u) of the wave = x
7.1
Maxwell (1873), proposed that visible light consists of

electromagnetic waves.
Electromagnetic
radiation is the emission
and transmission of energy
in the form of
electromagnetic waves.
Speed of light (c) in vacuum = 3.00 x 108 m/s

All electromagnetic radiation
x c
7.1
Characterizing Waves
the frequency, () is the number of waves that
pass a point in a given period of time
the number of waves = number of cycles

units are hertz, (Hz) or cycles/s = s-1
1 Hz = 1 s-1
the total energy is proportional to the amplitude

and frequency of the waves
the larger the wave amplitude, the more force it has

the more frequently the waves strike, the more total
force there is
18
The Relationship Between

Wavelength and Frequency
for waves traveling at the same speed, the shorter

the wavelength, the more frequently they pass
this means that the wavelength and frequency of
electromagnetic waves are inversely proportional
since the speed of light is constant, if we know
wavelength we can find the frequency, and visa versa

m
s
s
-1
19
Example 7.1- Calculate the wavelength of red

light with a frequency of 4.62 x 1014 s-1
Given: = 4.62 x 1014 s-1
Find: , (nm)
Concept Plan: s-1)
(m)
c
1 nm
(nm)
10 9 m
Relationships: = c, 1 nm = 10-9 m
Solution:
c 3.00 108 m s -1
7

6
.
49
10
m
14
1
4.62 10 s
1 nm
7
6.49 10 m 9 6.49 10 2 nm
10 m
Check: the unit is correct, the wavelength is appropriate
for red light
20
Practice Calculate the wavelength of a radio

signal with a frequency of 100.7 MHz
21
Practice Calculate the wavelength of a radio

signal with a frequency of 100.7 MHz
Given: = 100.7 MHz
Find: , (m)
Concept Plan: Hz)
6 -1
10 s
1 MHz
(s-1)
(m)
Relationships: = c, 1 MHz = 106 s-1

Solve:
106 s -1
100.7 MHz
1.007 108 s -1
1 MHz
c 3.00 108 m s -1

2.98 m
8
1
1.007 10 s
Check: the unit is correct, the wavelength is appropriate
for radiowaves
22
Color
the color of light is determined by its wavelength
or frequency
white light is a mixture of all the colors of visible light

a spectrum
RedOrangeYellowGreenBlueViolet
when an object absorbs some of the wavelengths of

white light while reflecting others, it appears colored
the observed color is predominantly the colors reflected
23
Wavelength & Amplitude
24
Electromagnetic Spectrum
25
Type of Radiation
Continuous Spectrum
27
The Electromagnetic Spectrum

visible light comprises only a small fraction of
all the wavelengths of light called the
electromagnetic spectrum
short wavelength (high frequency) light has
high energy
radiowave light has the lowest energy
gamma ray light has the highest energy
high energy electromagnetic radiation can

potentially damage biological molecules
ionizing radiation
28
Thermal Imaging using Infrared Light
29
Using High Energy Radiation

to Kill Cancer Cells
30
A photon has a frequency of 6.0 x 104 Hz. Convert

this frequency into wavelength (nm). Does this frequency
fall in the visible region?
x=c
= c/
= 3.00 x 108 m/s / 6.0 x 104 Hz
= 5.0 x 103 m
= 5.0 x 1012 nm
Radio wave
7.1
Interference
the interaction between waves is called
interference
when waves interact so that they add to make a
larger wave it is called constructive interference
waves are in-phase
when waves interact so they cancel each other it is

called destructive interference
waves are out-of-phase
32
Interference
33
Diffraction
when traveling waves encounter an obstacle or opening
in a barrier that is about the same size as the
wavelength, they bend around it this is called
diffraction
traveling particles do not diffract
the diffraction of light through two slits separated by a
distance comparable to the wavelength results in an

interference pattern of the diffracted waves
an interference pattern is a characteristic of all light
waves
34
Diffraction
35
2-Slit Interference
36
The Photoelectric Effect

it was observed that many metals emit electrons when a
light shines on their surface
this is called the Photoelectric Effect
classic wave theory attributed this effect to the light
energy being transferred to the electron

according to this theory, if the wavelength of light is
made shorter, or the light waves intensity made
brighter, more electrons should be ejected
remember: the energy of a wave is directly proportional to its
amplitude and its frequency
if a dim light was used there would be a lag time before
electrons were emitted
to give the electrons time to absorb enough energy
37
38

The Problem
in experiments with the photoelectric effect, it
was observed that there was a maximum
wavelength for electrons to be emitted
called the threshold frequency
regardless of the intensity
it was also observed that high frequency light

with a dim source caused electron emission
without any lag time
39
Einsteins Explanation
Einstein proposed that the light energy was
delivered to the atoms in packets, called quanta

or photons
the energy of a photon of light was directly
proportional to its frequency
inversely proportional to it wavelength
the proportionality constant is called Plancks
Constant, (h) and has the value 6.626 x 10-34 Js
hc
E h
40
Photoelectric effect animation
41
Example 7.2- Calculate the number of photons in a laser

pulse with wavelength 337 nm and total energy 3.83 mJ
Given: = 337 nm, Epulse = 3.83 mJ
Find: number of photons
Concept Plan: nm) 9
Ephoton
(m)
hc
10 m
1 nm
E photon
E pulse
number
photons
E photon
Relationships: E=hc/, 1 nm = 10-9 m, 1 mJ = 10-3 J, Epulse/Ephoton = # photons

Solve:
9
3.37 10 2 nm
E photon
hc
10 m
3.37 10 7 m
1 nm
6.626 10 34 J s 3.00 108 m s -1
3.37 10
10 J
3.83 mJ
3.83 10 3 J
1 mJ
5.8985 10
19
number of photons
3.83 10 3 J
5.8985 10 3 J
6.49 1015 photons

42
Practice What is the frequency of radiation

required to supply 1.0 x 102 J of energy from
8.5 x 1027 photons?
43
What is the frequency of radiation required to supply

1.0 x 102 J of energy from 8.5 x 1027 photons?
Given: Etotal = 1.0 x 102 J, number of photons = 8.5 x 1027
Find:
Concept Plan: number
Ephoton
(s-1)
photons E total
number of photons
Relationships:
Solve:
E photon
h
E=h, Etotal = Ephoton# photons
E photon
E photon
1.0 10 2 J
26
1
.
1
76
10
J
27
8.5 10
1.176 10
J
7 -1
1
.
8
10
s
34
6.626 10 J s
26
44
Ejected Electrons
1 photon at the threshold frequency has just
enough energy for an electron to escape the atom

binding energy,
for higher frequencies, the electron absorbs more

energy than is necessary to escape
this excess energy becomes kinetic energy of the
ejected electron
Kinetic Energy = Ephoton Ebinding
KE = h -
45
Spectra
when atoms or molecules absorb energy, that energy is
often released as light energy
fireworks, neon lights, etc.
when that light is passed through a prism, a pattern is
seen that is unique to that type of atom or molecule the

pattern is called an emission spectrum
non-continuous
can be used to identify the material
flame tests
Rydberg analyzed the spectrum of hydrogen and found
that it could be described with an equation that involved

an inverse square of integers
1
1
7 -1 1
1.097 10 m
2
2
n
n
2
1
46
Exciting Gas Atoms to Emit Light

with Electrical Energy
Hg
He
H
47
Emission Spectra
48
Examples of Spectra
Line Spectra = specific wavelengths
are emitted; characteristic of atoms
Oxygen spectrum
Neon spectrum
49
Identifying Elements with

Flame Tests
Na
Li
Ba
50
Flame Test animation
51
Emission vs. Absorption Spectra
Spectra of Mercury
52
Line Emission Spectrum of Hydrogen Atoms
7.3
7.3
Bohrs Model
Neils Bohr proposed that the electrons could only have
very specific amounts of energy
fixed amounts = quantized
the electrons traveled in orbits that were a fixed

distance from the nucleus
stationary states
therefore the energy of the electron was proportional the
distance the orbit from the nucleus
electrons emitted radiation when they jumped from
an orbit with higher energy down to an orbit with lower

energy
the distance between the orbits determined the energy of the
photon of light produced
55
Bohrs Model of
the Atom (1913)
1. e- can only have specific
(quantized) energy
values
2. light is emitted as emoves from one energy
level to a lower energy
level
En = -RH (
1
n2
n (principal quantum number) = 1,2,3,

RH (Rydberg constant) = 2.18 x 10-18J
7.3
E = hn
E = hn
7.3
Calculate the wavelength (in nm) of a photon

emitted by a hydrogen atom when its electron
drops from the n = 5 state to the n = 3 state.
Ephoton = E = RH(
1
n2i
1
n2f
Ephoton = 2.18 x 10-18 J x (1/25 - 1/9)

Ephoton = E = -1.55 x 10-19 J
Ephoton = h x c /
= h x c / Ephoton
= 6.63 x 10-34 (Js) x 3.00 x 108 (m/s)/1.55 x 10-19J
= 1280 nm
7.3
Bohr Model of H Atoms
59
The Diagram of Elektronic Transitions for Lyman-PaschenBalmer Lines Spectra accoding to Bohr
- E / cm-1
0
4
3
12187
27420
109680
6855
Balmer
Lyman
100
200
500
Paschen
1000
/ nm
Ephoton = DE = Ef - Ei
ni = 3
ni = 3
ni = 2
nf = 2
Ef = -RH
Ei = -RH
DE = RH(
1
n2f
1
n2i
1
n2i
1
n2f
nf = 1
7.3
The Bohr Model of the Atom

Nuclear Model of atom does not explain how atom can
gain or lose energy

Neils Bohr developed a model to explain how structure
of the atom changes when it undergoes energy
transitions
Bohr postulated that energy of the atom was quantized,
and that the amount of energy in the atom was related to
the electrons position in the atom
quantized means that the atom could only have very specific
amounts of energy
Bohr Model of Atom: Electron Orbits

In the Bohr Model, electrons travel in orbits or energy
levels around the nucleus

The farther the electron is from the nucleus the more
energy it has
m v2
____
r2
electron in its
circular orbit
q1 q2
____
r2
nucleus
63
The Bohr Model of the

Atom: Orbits and Energy
Each orbit (energy level)
has a specific amount of
energy
Energy of each orbit is

symbolized by n, with
values of 1, 2, 3 etc; the
higher the value the
farther it is from the
nucleus and the more
energy an electron in that
orbit has
The Bohr Model of the Atom:

Energy Transitions
Electrons can move from a
lower to a higher (farther from

nucleus) energy level by
absorbing energy
When the electron moves from

a higher to a lower (closer to
nucleus) energy level, energy
is emitted from the atom as a
photon of light

Ground and Excited States
Ground state atoms with their electrons in the lowest
energy level possible; this lowest energy state is the
most stable.
Excited state a higher energy state; electrons jump to

higher energy levels by absorbing energy
Atom is less stable in an excited state; it will release

the extra energy to return to the ground state
Electron Energy Levels:

Energy Level How many e fit?
3rd
18 electrons
2nd
8 electrons
1st
2 electrons
(2n2)
2 x 32
2 x 22
2 x 12
Each energy level has a maximum # of

electrons it can hold.
H has one electron; it is in the 1st energy level.
Bohr model
Bohr Model for Atom

Electrons fill the Lowest energy levels first
Bohr Model for C with 6 electrons

Success and Failure
The Bohr Model very accurately predicts the
spectrum of hydrogen with its one electron
It is inadequate when applied to atoms with

many electrons
A better theory was needed
Wave Behavior of Electrons

de Broglie proposed that particles could have wave-like
character
because it is so small, the wave character of electrons
is significant
electron beams shot at slits show an interference
pattern
the electron interferes with its own wave
de Broglie predicted that the wavelength of a particle

was inversely proportional to its momentum
m

kg m 2
s2
mass(kg) velocity(m s -1 )
70
Electron Diffraction
however, electrons actually

if electrons behave like
present an interference
particles, there should
pattern, demonstrating the
only be two bright spots
behave like waves
on the target
71
Example 7.3- Calculate the wavelength of an electron

traveling at 2.65 x 106 m/s
Given: v = 2.65 x 106 m/s, m = 9.11 x 10-31 kg (back leaf)
Find: m
Concept Plan:
m, v
(m)
h
mv
Relationships: = h/mv
Solution :
mv
34
6.626 10
9.1110
2.74 10 10 m
-31
kg m 2
2
s
m
kg 2.65 10 s
72
Practice - Determine the wavelength of a neutron

(Massneutron = 1.675 x 10-24 g)
73
Practice - Determine the wavelength of a neutron

Given: v = 1.00 x 102 m/s, m = 1.675 x 10-24 g
Find: m
Concept Plan:
m(g)
m (kg), v
(m)
1 kg
103 g
h
mv
Relationships: = h/mv, 1 kg = 103 g

Solution:
1 kg
m 1.675 10 g 3
10 g
1.675 10 27 kg
24
mv
34
6.626 10
1.675 10
3.96 10 9 m
- 27
kg m 2
2
s
m
kg 1.00 10 s
74
Complimentary Properties
when you try to observe the wave nature of the
electron, you cannot observe its particle nature

and visa versa
wave nature = interference pattern
particle nature = position, which slit it is passing
through
the wave and particle nature of nature of the

electron are complimentary properties
as you know more about one you know less about

the other
75
Uncertainty Principle
h 1
x v

4 m
Heisenberg stated that the product of the uncertainties

in both the position and speed of a particle was
inversely proportional to its mass
x = position, x = uncertainty in position
v = velocity, v = uncertainty in velocity
m = mass
the means that the more accurately you know the

position of a small particle, like an electron, the less
you know about its speed
and visa-versa
76
Uncertainty Principle Demonstration
any experiment
designed to observe the
electron results in
detection of a single
electron particle and no
interference pattern
77
Determinacy vs. Indeterminacy

according to classical physics, particles move in a path
determined by the particles velocity, position, and
forces acting on it
determinacy = definite, predictable future
because we cannot know both the position and velocity

of an electron, we cannot predict the path it will follow
indeterminacy = indefinite future, can only predict
probability
the best we can do is to describe the probability an

electron will be found in a particular region using
statistical functions
78
Trajectory vs. Probability
79
The number of wavelength (l) must be discrete (standing

wave/stationary), n = 1,2,3, .. as shown in (A),
otherwise disappear.
Electron Energy
electron energy and position are complimentary

because KE = mv2
for an electron with a given energy, the best we can

do is describe a region in the atom of high probability
of finding it called an orbital
a probability distribution map of a region where the
electron is likely to be found
distance vs. 2
many of the properties of atoms are related to the

energies of the electrons
81
Polar and Cartesian Coordinates for One Electron Model
r =0-,q=0- p,
f = 0- 2 p
Important equations:
z = r cos q
x = r sin q cos f
y = r sin q sin f, and
r2 = x2 + y2 + z2
Wave Function,
Dont worry about the solutions

Yn,,m (r,q,f) =
Rn, (r ) . Q,m (q) . Fm (f)
The essential solutions involving the

following values:
(n--1)!
and
( |m| )!
Thus:
n and must be discreet, positive and
integer one
n ( + 1);
( n = 1, 2, 3, ..;
0 , and
m =
= 0, 1, 2, 3, ..)
Wave Function,
calculations show that the size, shape and
orientation in space of an orbital are determined
be three integer terms in the wave function
added to quantize the energy of the electron
these integers are called quantum numbers

principal quantum number, n
angular momentum quantum number, l
magnetic quantum number, ml
88
Principal Quantum Number, n

characterizes the energy of the electron in a particular
orbital
corresponds to Bohrs energy level
n can be any integer 1

the larger the value of n, the more energy the orbital has
energies are defined as being negative
an electron would have E = 0 when it just escapes the atom
the larger the value of n, the larger the orbital

as n gets larger, the amount of energy between orbitals
gets smaller
E n -2.18 10
-18
1
J 2
n
for an electron in H
89
Principal Energy Levels in Hydrogen
90
Electron Transitions
in order to transition to a higher energy state, the
electron must gain the correct amount of energy

corresponding to the difference in energy between the
final and initial states
electrons in high energy states are unstable and tend to
lose energy and transition to lower energy states
energy released as a photon of light
each line in the emission spectrum corresponds to the

difference in energy between two energy states
91
Predicting the Spectrum of Hydrogen

the wavelengths of lines in the emission spectrum of
hydrogen can be predicted by calculating the

difference in energy between any two states
for an electron in energy state n, there are (n 1)
energy states it can transition to, therefore (n 1) lines
it can generate
both the Bohr and Quantum Mechanical Models can
predict these lines very accurately
E photon released E hydrogen electron E final E initial
hc
1
1
18
18
h
2.18 10 J
2.18 10 J
2
2
n
initial
final
92
Emission spectrum
93
Hydrogen Energy Transitions
94
Example 7.7- Calculate the wavelength of light emitted when

the hydrogen electron transitions from n = 6 to n = 5
Given: ni = 6, nf = 5
Find: m
Concept Plan: ni, nf
Eatom
1
E R H 2
n
Ephoton
Eatom = -Ephoton
h c
Relationships: E=hc/En = -2.18 x 10-18 J (1/n2)

Solution: E 2.18 10 18 J 1 1 2.6644 10 20 J
2
atom
2
5 6
Ephoton = -(-2.6644 x 10-20 J)

= 2.6644 x 10-20 J
34
8 m
hc 6.626 10 J s 3.00 10 s
6
7
.
46
10
m
- 20
E
2.6644 10 J
Check: the unit is correct, the wavelength is in the infrared, which
is appropriate because less energy than 42 (in the visible)
Practice Calculate the wavelength of light emitted when

the hydrogen electron transitions from n = 2 to n = 1
96
Calculate the wavelength of light emitted when the hydrogen

electron transitions from n = 2 to n = 1
Given: ni = 2, nf = 1
Find: m
Concept Plan: ni, nf
Eatom
1
E R H 2
n
Ephoton
Eatom = -Ephoton
h c
Relationships: E=hc/En = -2.18 x 10-18 J (1/n2)

1
Solve:
18 1
E atom 2.18 10 J 2 2 1.64 10 18 J
1 2
Ephoton = -(-1.64 x 10-18 J)

= 1.64 x 10-18 J
34
8 m
hc 6.626 10 J s 3.00 10 s
7
1
.
21
10
m
-18
E
1.64 10 J
Check: the unit is correct, the wavelength is in the UV, which is
appropriate because more energy than 3 2 (in the visible)
Probability & Radial Distribution

Functions
2 is the probability density
the probability of finding an electron at a particular point in

space
for s orbital maximum at the nucleus?
decreases as you move away from the nucleus
the Radial Distribution function represents the total

probability at a certain distance from the nucleus
maximum at most probable radius
nodes in the functions are where the probability drops to 0
98
The Diagram Showing (a) cos q and (b) cos2 q

(pz)
Probability Density Function
101
Radial Distribution Function
102
The Shapes of Atomic Orbitals

the l quantum number primarily determines the
shape of the orbital
l can have integer values from 0 to (n 1)
each value of l is called by a particular letter
that designates the shape of the orbital
s orbitals are spherical

p orbitals are like two balloons tied at the knots
d orbitals are mainly like 4 balloons tied at the knot
f orbitals are mainly like 8 balloons tied at the knot
103
l = 0, the s orbital
each principal energy
state has 1 s orbital
lowest energy orbital in a
principal energy state
spherical
number of nodes = (n 1)
104
2s and 3s
2s
n = 2,
l=0
3s
n = 3,
l=0
105
Strictly Speaking:
The subscript x, y, and z are not alphabetic order of energy of ml
The subscript x, y, and z are strictly related to the ml values
The values of ml are not identical with energy
l = 1, p orbitals (pz = 0; px , py = 1)
each principal energy state above n = 1 has 3 p orbitals
ml = -1, 0, +1 (Note: This is not the order of increasing energy)
each of the 3 orbitals point along a different axis

px, py, pz (Note: This is not the order of ml and of increasing energy)
2nd lowest energy orbitals in a principal energy state

two-lobed
node at the nucleus, total of n nodes
Tro, Chemistry:
A Molecular Approach
106
l = 1 ; p orbitals
m = 1
m = 1
m =
107
l = 2 ; d orbitals
each principal energy state above n = 2 has 5 d orbitals
ml = -2, -1, 0, +1, +2
4 of the 5 orbitals are aligned in a different plane

the fifth is aligned with the z axis, dz2
dxy , dyz , dxz , dx2 y2
3rd lowest energy orbitals in a principal energy state

mainly 4-lobed
one is two-lobed with a toroid
planar nodes
higher principal levels also have spherical nodes
108
l = 2 ; d orbitals
m = 1
m = 1
m = 2
m = 2
m =
109
l = 3 ; f orbitals
each principal energy state above n = 3 has 7 f
orbitals
ml = -3, -2, -1, 0, +1, +2, +3
4th lowest energy orbitals in a principal energy

state
mainly 8-lobed
some 2-lobed with a toroid
planar nodes
higher principal levels also have spherical nodes
110
l = 3 ; f orbitals
m =
m = 2
m = 1
m = 3
m = 1
m = 3
m = 2
111
Why are Atoms Spherical?
112
Energy Shells and Subshells
113
Schrodinger Wave Equation

= fn (n, l, ml, ms)
spin quantum number ms
ms = + or -
ms = +
ms = -
7.6
SUMMARY:
The Quantum-Mechanical
Model Orbitals
Erwin Schrdinger used mathematics to predict
probability of finding an electron at a certain location

in the atom
Result is a map of regions in the atom that have a
particular probability for finding the electron
Orbital = a region with a very high probability of
finding the electron when it has a particular amount of
energy
The Quantum-Mechanical Model

Each principal energy level or shell has one or more
subshells
# of subshells same as the principal quantum number or shell
The subshells are often represented as a letter

s, p, d, f
Each kind of subshell has orbitals with a particular

shape
Shells & Subshells
Subshells and Orbitals

The subshells of a principal shell have slightly
different energies
the subshells in a shell of H all have the same energy, but
for multielectron atoms the subshells have different
energies
s < p < d < f
Each subshell contains one or more orbitals

s subshells have 1 orbital
p subshells have 3 orbitals
d subshells have 5 orbitals
f subshells have 7 orbitals
The Quantum Mechanical Model

Energy Transitions
As in Bohr Model, atoms gain or lose energy as
electron moves between orbitals in different
energy shells and subshells
The ground state of the electron is the lowest
energy orbital it can occupy
Excited state = when an electron moves to a
higher energy orbital
The Bohr Model vs.

Both the Bohr and Quantum Mechanical models
predict the spectrum of hydrogen very
accurately
Only the Quantum Mechanical model predicts

the spectra of multielectron atoms
The Bohr Model vs.

Both the Bohr and Quantum Mechanical models
predict the spectrum of hydrogen very
accurately
Only the Quantum Mechanical model predicts

the spectra of multielectron atoms
Electron Configurations
Electron configuration = distribution of
electrons into the various energy shells and
subshells in an atom in its ground state
Each energy shell and subshell has a maximum

number of electrons it can hold
s = 2, p = 6, d = 10, f = 14
Writing Electron Configurations

We place electrons in the energy shells and
orbitals in order of energy, from low
energy up: Aufbau Principle (order of
filling of orbitals)
The d and f orbitals overlap into the higher

energy levels resulting in an exception
order after atomic number 20
7s
6s
Energy
5s
4s
6p
5p
6
d
5d
5f
4f
4d
4p
3d
3p
3s
2p
2s
1s
Relative Energy of Orbitals

in the Quantum Mechanical Model
Detailed Relative
Energy of Orbitals
in the Quantum
Mechanical Model
Note: the relative
energy of occupied
(n-1)d to ns orbitals
n=7
n=6
n=5
n=4
7p
7s
6d
5f
n=3
n=1
4f
4d
4p
4s
E
n
e
r
g
y
n=2
6p
6s
5d
5p
5s
=
=
=
=
1
3d
3p
3s
2p
2s
1s
f
d
p
s
20
40
60
Atomic Number
80
100
Energies of atomic orbitals by atomic number
Order of Subshell Filling

in Ground State Electron Configurations
Start by drawing a diagram
putting each energy shell on
a row and listing the subshells,
(s, p, d, f), for that shell in
order of energy, (left-to-right)
next, draw arrows through
the diagonals, looping back
to the next diagonal
each time
1s
2s
2p
3s
3p
3d
4s
4p
4d
4f
5s
5p
5d
5f
6s
6p
6d
7s
(16)
7s
6p
(12)
6s
(15)
5p
(9)
5s
(11)
4p
(6)
4s
(8)
3p
(4)
3s
(5)
2p
(2)
2s
1s
6d
(3)
(1)
1s
(a)
5f
5d
(14)
4d
(10)
3d
(7)
1s
2s
2p
3s
3p
3d
4s
4p
4d
2s
(17)
4f
2p
3s
3p
4s
(13)
5s
5p
6s
6p
7s
7p
5d
6d
(b)
4f
3d
4p
5s
4d
5p
6s
5f
4f
5d
6p
7s
5f
6d
7p
8s
(c)
Diagram mnemonic urutan pengisian elektron pada orbital menurut: (a) (a)
Pao-Fang Yi (J. Chem. Ed. 1947, Vol. 24, 567)
(b) Uncle Wiggly (J. Chem. Ed. 1983, Vol. 60, 562)
(c) Darsey sebagai pohon natal Pascal( (J. Chem. Ed. 1988, Vol. 65, 1036)
Filling the Orbitals in a Subshell

with Electrons
Energy shells fill from lowest energy to high
Subshells fill from lowest energy to high
s p d f
A single orbital can hold a maximum of 2 electrons
(Paulis exclusion principle); orbitals that are in the
same subshell have the same energy
When filling orbitals that have the same energy, place
one electron in each before completing pairs (Hunds
rule)
Electron Configuration of Atoms in

their Ground State
Electron configuration = order of filling with
electrons; number of electrons in that subshell

written as a superscript
Kr = 36 electrons = 1s22s22p63s23p63d104s24p6
Shorthand way: use the symbol of the previous
noble gas in brackets to represent all the inner
electrons, then just write the last set
Rb = 37 electrons = 1s22s22p63s23p63d104s24p65s1 =
[Kr]5s1
Electron Configurations
how many electrons
in that orbital
Nitrogen: 1s22s22p3
energy level
orbital
(atomic number = 7)
Example Write the Ground State

Orbital Diagram and Electron
Configuration of Magnesium.
1. Determine the atomic number of the element

from the Periodic Table
This gives the number of protons and electrons in
the atom
Mg, Z = 12, so Mg has 12 protons and 12 electrons

2. Draw 9 boxes to represent the first 3 energy

levels s and p orbitals
1s
2s
2p
3s
3p

3. Add one electron to each box in a set, then

pair the electrons before going to the next set
until you use all the electrons
When pairing, put in opposite arrows
1s
2s

2p
3s
3p

4. Use the diagram to write the electron

configuration
Write the number of electrons in each set as a
superscript next to the name of the orbital set
1s22s22p63s2 = [Ne]3s2
1s
2s

2p
3s
3p
Valence Electrons
Valence electrons = electrons in all the
subshells with the highest principal energy
shell (outermost shell)
Core electrons = in lower energy shells

Valence electrons responsible for both
chemical and physical properties of atoms.
Valence electrons responsible for chemical

reactions
Valence Electrons
Rb = 37 electrons = 1s2 2s22p6 3s23p63d10 4s24p6 5s1
The highest principal energy shell of Rb that
contains electrons is the 5th, therefore Rb has 1
valence electron and 36 core electrons
Kr = 36 electrons = 1s2 2s22p6 3s23p63d10 4s24p6
The highest principal energy shell of Kr that
contains electrons is the 4th, therefore Kr has 8
valence electrons and 28 core electrons
How many valence electrons does

each atom have?
carbon: 1s2 2s22p2
chlorine: 1s2 2s22p6 3s23p5
How many valence electrons

does each atom have?
carbon: 1s2 2s2 2p2 = 4
chlorine: 1s2 2s22p6 3s23p5 = 7
Electronic Configurations of Some Metals and Their Common

Oxydation Number
Atom
19K
20Ca
21Sc
22Ti
Electronic Configuration
[18Ar] 4s 1
[18Ar] 4s 2
[18Ar] 3d 1 4s 2
[18Ar] 3d 2 4s 2
Common Ion
K+
Ca2+
Sc3+
Ti4+
Common Oxydation Number

+1
+2
+3
+2 , +3, +4
V
24Cr
[18Ar] 3d 3 4s 2
[18Ar] 3d 5 4s 1
V3+
Cr3+
+2 , +3, +4, +5
+2 , +3 , +6
Mn
26Fe
27Co
28Ni
29Cu
30Zn
[18Ar] 3d 5 4s 2
[18Ar] 3d 6 4s 2
[18Ar] 3d 7 4s 2
[18Ar] 3d 8 4s 2
[18Ar] 3d 10 4s 1
[18Ar] 3d 10 4s 2
Mn2+
Fe2+, Fe3+
Co2+, Co3+
Ni2+
Cu+, Cu2+
Zn2+
+2 , +3 , +4 , +6 , +7
+2 , +3
+2 , +3
+2
+1, +2
+2
23
25

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