Quantum Mechanics

Adapted from:
http://www.chalkbored.com/les
sons/chemistry-12/quantum-
mechanics.ppt
Atomic Model Timeline

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Atomic Model Timeline

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 The Bohr Model
• Niels Bohr (1885-1962) was a Danish physicist
and a student of Rutherford’s.

• In 1913, Bohr introduced his atomic model

based on the simplest atom, hydrogen (only 1
electron)
– Bohr proposed that an electron is found only in
specific circular paths, or orbits, around the
nucleus.

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 The Bohr Model
• Each electron has a fixed energy = an energy level.
– Electrons can jump from one energy level to another.
– Electrons can not be or exist between energy levels.
• A quantum of energy is the amount of energy
needed to move an electron from one energy level to
another energy level.

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Bohr Model

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 Bohr Model
• To move from one level to another, the
electron must gain or lose the right amount
of energy.
• The higher the energy level, the farther it is
from the nucleus.
– Gain energy to move to higher energy levels
(away from nucleus)
– Lose energy to move to lower energy levels
(closer to nucleus)
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Did you know that an element can be
identified by its emission spectra?
– When atoms absorb energy, electrons move into
higher energy levels. These electrons then lose
energy by emitting light when they return to lower
energy levels.
Mercury Nitrogen

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Fingerprints
of certain
atoms
Bohr’s Model

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 The Quantum Mechanical Model
• Rutherford’s and Bohr’s model focused on
describing the path of the electron around the
nucleus like a particle (like a small baseball).
• Austrian physicist Erwin Schrödinger (1887–
1961) treated the electron as a wave.
– The modern description of the electrons in atoms,
the quantum mechanical model, comes from the
mathematical solutions to the Schrödinger
equation.
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 What are Quantum Numbers?
• An electron’s unique “fingerprint” that
describes it position and behavior

• Quantum Mechanics = explains the

behavior of very SMALL, FAST moving
objects
 Quantum Mechanics overview
• We will see: electrons have discrete energies,
not because they are in shells but because
they can only have certain wavelengths
• Line spectra are not due to electrons jumping
from shell to shell (as in Bohr’s model)…
• Instead they’re due to electrons transforming
from one wavelength (waveform) to another
• Each electron is a wave that can be described
by a series of “quantum numbers”
• There are four quantum numbers: n, l, ml, ms
• The combination of the first 3 defines an
“orbital”
 Quantum Numbers
There are four numbers that come into the theory of
electron clouds as waves called quantum numbers.

The first quantum number, n, is the principal

energy level. This is the 1 in 1s2. It can have the
values 1, 2, 3, …

The second quantum number, l, is the sublevel,

azimuthal or orbital. The nth principle energy level
has n sublevels. We refer to these sublevels by
letters: s, p, d, f, g, h, i, j, k, … Sometimes numbers
are used too: 0, 1, 2, 3, …cannot be larger than (n-1)
l : The secondary quantum number
• Each value of l is associated with a letter:
• 0 = s, 1 = p, 2 = d, 3 = f
• after 3, the associated letters go
alphabetically from f up, so 4 = g, 5 = h, etc.
• Normally, we don’t talk about electrons
beyond l = 3 (the f subshell)
• Whereas n represents size and energy, l
tells us of the shape (a.k.a. sublevel) of an
electron (more detail later).
• We often identify electrons by shell and
subshell: e.g. 1s, 3d, 2s, and 5d subshell
 l : The secondary quantum number
• If n can be thought of as shells, l can be
thought of as “subshells” dividing each shell
into subsections … (l = 0  n - 1)

n=1
l = 0 (s)
n=3
n=2 l = 0 (s)
l = 0 (s) l = 1 (p)
l = 1 (p) l = 2 (d)

Use QN WS as study tool

 Quantum Numbers
The third quantum number, ml, is the magnetic
quantum numbers. Every sublevel has one or
more orbitals. The s sublevel has 1 orbital, the p
sublevel has 3 orbitals, the d sublevel has 5 orbitals,
etc. These orbital can be indicated by the number m l
= l, l-1, …0, -1, … -l

The fourth quantum number, ms, is the spin of

the electron. Electrons can be either spin up or
spin down. ms can be either +½ or -½

Spintronics: This is a new type of electronics which is based on the spin of the
electrons.
It is possible to filter electrons which have different spins using very thin magnetic
A. Principal QN (n = 1, 2, 3, . . .)
1. Related to size of the atomic orbital (distance from the
nucleus).
2. Larger n value indicates higher energy
3. Larger n value means electrons are less strongly bound
to nucleus
B. Angular Momentum (sublevel) QN (l = 0 to n  1)
1. Relates to shape of the atomic orbital.
2. Each l number is assigned a letter
3. n = 3, l = 0, 1, 2 (s, p, and d orbitals in the third shell)
C. Magnetic QN (ml = l to l)
1. Relates to orientation of the orbital in space relative to
other orbitals.
D. Electron Spin QN
(ms = +1/2, 1/2)
1. Relates to the spin states of
the electrons.
2. Electrons are –1 charged and are spinning
3. Spinning charge creates a magnetic field
4. You can tell the direction of the spin by which
way the magnetic moment lines up in an
external magnetic field
5. The two possible spin directions are called +½
and –½
E. Pauli Exclusion Principle
1. In a given atom, no two electrons can have the
same set of four quantum numbers (n, l, ml, ms).
 2. Therefore, an orbital can hold only two
electrons, and they must have opposite spins.
 3. Electrons can have the same n, l, and
ml values
 a) n = 3, l = 2 (d-orbital), ml = -2 (a single d-orbital)
 b) That single d-orbital can only hold 2 e-, one with
 ms = +1/2, and one with ms = 1/2
 II. Orbital Shapes and Energies
A. Atomic orbital shapes are surfaces that
surround 90% of the total probability of
where its electrons are
1. Look at l = 0, the s-orbitals
2. Basic shape of an s-orbital is
spherical
3. centered on the nucleus
3. Basic shape is same for same l
values
4. Nodes = areas of zero probability
5. Number of nodes changes for larger
n
6. We will usually just use outer surface
to describe the shape of an orbital
B. p-orbitals
1. There are no 1p orbitals (n = 1, l = 0 only)
2. 2p orbitals (n = 2, l = 1) have 2 lobes with a
node at the nucleus
3. There are three different p-orbitals (l = 1, ml = -1,
0, 1)
a. 2px lies along the x-axis
b. 2py lies along the y-axis
c. 2pz lies along the z-axis
4. All three 2p orbitals have the same energy =
degenerate
5. 3p, 4p, 5p, etc… have the same shape and
number, just larger
C. d-orbitals
1. There are no 1d or 2d orbitals (d needs l = 2, so n = 3)
2. 5 degenerate d-orbitals (ml = -2, -1, 0, 1, 2)
3. 4 of the d-orbitals have 4 lobes which lie in planes on or between the xyz
axes: 3dxy, 3dxz, 3dyz, 3dx2-y2
4. 1 is composed of 2 lobes and a torus-shaped area: 3dz2
5. The 4d orbitals etc…are the same shape, only larger
D. f-orbitals
1. n = 4, l = 3, ml = -3, -2, -1, 0, 1, 2, 3
2. 7 f-orbitals in the fourth shell are degenerate
3. The f-orbital are only used for the lanthanides
and actinides and are complex shapes. We
won’t use them.
E. Orbital Energies
1. Orbital energies are largely determined by
2. the n value: 3 > 2 > 1 for H atom (s = p)

2. But, for polyelectron atoms, the different

• l values are not all degenerate (s ≠ p)
• a. 2s is larger than 2p orbital
• b. 2s “penetrates” the 2p, so is lower
energy
• c. Penetration effects help explain
energy ordering
Hund’s Rule

 Orbitals of equal energy are each

occupied by ONE electron before any
orbital is occupied by a SECOND electron

 All electrons in a single occupied orbital

must have the same spin.
Principal Quantum Number

 Symbol = n
 Represents the main energy level of the
electron
 Range = 1- 7
 Ex. = 3s
Principal Quantum number = 3
Angular Momentum Quantum Number

 Symbol = l (small letter L)

 Represents the shape of the orbital (also
called sublevel)
 Range = 0 – n-1 (whole number)
 Shapes:
 0 = s (sphere) 1 = p (petal)
2 = d (double petal) 3 = f (flower)
Magnetic Quantum Number
 Symbol = m
 Represents the orientation of the orbital
around the nucleus
 Each line holds 2 electrons
___ = s
0
___ ___ ___ = p
-1 0 +1
Magnetic Quantum Number (cont.)

___ ___ ___ ___ ___ = d

-2 -1 0 +1 +2

___ ___ ___ ___ ___ ___ ___ =

f
-3 -2 -1 0 +1 +2 +3
 So what is ms (or just “s”)?
• The spin (clockwise or counterclockwise)
on the electron
• It describes which of the 2 possible
electrons in any orbital is being described
• Values: +/- ½
Spin Quantum Number

 2 Spin States
 Clockwise spin = +1/2 (upward arrow)
 Counterclockwise spin = -1/2 (downward
arrow)

A Single orbital can hold two electrons, but

they must have opposite spins
Unit 2 – Electrons and Periodic
Behavior
Cartoon courtesy of
NearingZero.net

Cartoon courtesy of NearingZero.net

 Shells and Orbitals and Atomic Structure
f
d
s p

•Shells of an
atom contain
a number of
stacked
orbitals
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 5.1
Atomic Orbitals
• Different atomic orbitals are denoted by letters. The
s orbitals are spherical, and p orbitals are dumbbell-
shaped.

• Four of the five d orbitals have the same shape but

different orientations in space.
 5.1
Atomic Orbitals
• The numbers and kinds of atomic orbitals depend on
the energy sublevel.
Energy # of Letter of # of orbitals # of Total
Level, n sublevels sublevels per sublevel electrons in electrons in
each orbital energy level
 5.1
Atomic Orbitals
• The numbers and kinds of atomic orbitals depend on
the energy sublevel.
Energy # of Letter of # of orbitals # of Total
Level, n sublevels sublevels per sublevel electrons in electrons in
each orbital energy level

1 1 s 1 2 2

s 1 2
2 2 8
p 3 6

s 1 2
3 3 p 3 6 18
d 5 10
s 1 2
4 p 3 6
4 32
d 5 10
f 7 14
 5.1

Atomic Orbitals
• The number of electrons allowed in each of the
first four energy levels are shown here.
– A maximum of 2 electrons per orbital

Use this to find

the # of electrons
in an energy

level 2n2
5.2

Electron Configurations
• The ways in which electrons are arranged in
various orbitals around the nuclei of atoms
are called electron configurations.

– Three rules—the aufbau principle, the Pauli

exclusion principle, and Hund’s rule—tell you
how to find the electron configurations of
atoms.
 5.2

Electron Configurations
• Aufbau Principle
– According to the aufbau principle, electrons occupy the
orbitals of lowest energy first. In the aufbau diagram below,
each box represents an atomic orbital.
• Pauli Exclusion Principle
– According to the Pauli exclusion principle, an atomic
orbital may describe at most two electrons. To occupy the
same orbital, two electrons must have opposite spins; that is,
the electron spins must be paired.
• Hund’s Rule
– Hund’s rule states that electrons occupy orbitals of the
same energy in a way that makes the number of electrons
with the same spin direction as large as possible.
Filling Diagram for Sublevels

Aufbau Principle
 Electron Configurations
• The electron configuration of an atom is a
shorthand method of writing the location of
electrons by sublevel.
• The sublevel is written followed by a superscript
with the number of electrons in the sublevel.
– If the 2p sublevel contains 2 electrons, it is written 2p2
 Writing Electron Configurations
• First, determine how many electrons are in the
atom. Iron has 26 electrons.
• Arrange the energy sublevels according to
increasing energy:
– 1s 2s 2p 3s 3p 4s 3d …
• Fill each sublevel with electrons until you have
used all the electrons in the atom:
– Fe: 1s2 2s2 2p6 3s2 3p6 4s2 3d 6
• The sum of the superscripts equals the atomic
number of iron (26)
 Electron Configuration Practice
• Write a ground state electron configuration
for a neutral atom

Ne

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 Electron Configuration Practice
• Write a ground state electron configuration
for these ions.

O2-

Na+

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 Electron Configuration Practice
• An excited atom has an electron or electrons which are not
in the lowest energy state. Excited atoms are unstable
energetically. The electrons eventually fall to a lower level.
* is used to indicate an excited atom. For example: *Li 1s 2
3p1. (The ground state for Li is 1s2 2s1.)

• Write an excited electron configuration for the following

atoms.

• *Al

• *K
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 Electron Configurations
and the Periodic Table
• The periodic table can be used as a guide for electron
configurations.
• The period number is the value of n.
• Groups 1A and 2A have the s-orbital filled.
• Groups 3A - 8A have the p-orbital filled.
• Groups 3B - 2B have the d-orbital filled.
• The lanthanides and actinides have the f-orbital filled.
 Blocks and Sublevels
• We can use the periodic table to predict which
sublevel is being filled by a particular element.
 Noble Gas Core Electron Configurations
• Recall, the electron configuration for Na is:
Na: 1s2 2s2 2p6 3s1
• We can abbreviate the electron configuration by
indicating the innermost electrons with the
symbol of the preceding noble gas.
• The preceding noble gas with an atomic number
less than sodium is neon, Ne. We rewrite the
electron configuration:
Na: [Ne] 3s1
 Electron Configurations
Condensed Electron Configurations
• Neon completes the 2p subshell.
• Sodium marks the beginning of a new row.
• So, we write the condensed electron configuration for sodium
as
Na: [Ne] 3s1
• [Ne] represents the electron configuration of neon.
• Core electrons: electrons in [Noble Gas].
• Valence electrons: electrons outside of [Noble Gas].
5.2

Electron Configurations
• Orbital Filling Diagram
5.2

Exceptional Electron Configurations

• Some actual electron configurations differ

from those assigned using the aufbau
principle because half-filled sublevels are
not as stable as filled sublevels, but they are
more stable than other configurations.
 5.2
Exceptional Electron Configurations
• Exceptions to the aufbau
principle are due to subtle
electron-electron
interactions in orbitals with
very similar energies.
• Copper has an electron
configuration that is an
exception to the aufbau
principle.