Chem 105

Winter 2019
Lecture 8

Sections 3.6-3.7
 Quiz Question
Solutions to the Schrödinger equation are called
wave functions (ψ). A certain ψ2 defines:

a) a principle quantum number

b) a wavelength of light
c) the exact position of an electron in an atom
d) an orbital
e) the amplitude of a wave
 de Broglie matter waves
• Proposed that the orbiting electron behaves like a
circular wave oscillating around the nucleus

Standing wave
• Consider guitar strings, only certain wavelengths can
“fit”
• Particle (electron) is treated as a wave. Only certain
waves “fit” in the box

• The number of half-wavelengths is a “quantum

number” for an allowed energy
• Requirement: only integer number of
half-wavelengths “fit” in box
• Nodes = places where wave goes through 0
• Total nodes = n-1
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 Where is the electron?
• Werner Heisenberg (1901-1976)
• Uncertainty principle: never know exactly
the position and momentum of an electron

h x = position
(Δx) (mΔu) ≥ u = velocity
4π
• In many cases, uncertainty of the electron
position is greater than the size of the atom
itself!
 Theoretical Foundation for Duality

• Erwin Schrödinger (1887-1961)

• Applied idea of e- wave and
particle behavior to the problem
of electrons in atoms.
• Developed the wave equation
• Solutions describe allowed
energy state of an e-.
 Schrodinger’s Wave Equation
(Quantum Mechanics)

• The solutions to Schrödinger’s

equation are called wave
functions ψ, (psi).
• Psi squared (ψ2) describes
the probability of electron
density around the atom or
an orbital.
Orbitals

• Not circular orbits

NOT TRUE
• Two interpretations:
– e– is a wave, “smeared out” into a standing wave around
the nucleus
– 3D probability distribution for finding electron at a
particular position
• An orbital is described by quantum numbers: n, l, ml
• An electron is described by those and a fourth: ms
 Orbitals: Quantum Numbers

• The size, shape, and energy of each atomic orbital is a

function of 3 quantum numbers:
• n = principal quantum number (shell size)
• l = angular momentum quantum number (subshell shape)
• ml = magnetic quantum number (designates the
orientation of the orbital)
 Principle Quantum Number, n

• Is the shell and describes the

energy level
• n = 1, 2, 3, 4,... (an integer >0)
• Keep interpretation of transitions
from the Bohr model
• Total number of nodes = n – 1
 Think about this…
If a hydrogen atom absorbs a photon,
what happens to the value of the principal
quantum number, n, of the electron?
A. It increases.
B. It decreases.
C. It stays the same
Angular Momentum Quantum Number, l

• This defines the shape of the orbital.

l is the number of angular nodes (angular
node = planar node)

• l = 0, 1, 2,..., (n –1)
n different values of l for a given n

Coded using letters l = 0 1 2 3. . .

code = s p d f . . .
 Magnetic Quantum Number, ml

• Describes the three-dimensional orientation of

the orbital.
• Values are integers ranging from − l ≤ ml ≤ l

For example, if l =1 then ml = –1, 0, 1

Call them px, py, pz orbitals
2l + 1 different values of ml
 Practice

• What is the name of the orbital if n = 2

and l = 0?
A. 1s
B. 2s
C. 2p
D. 3p
E. 3d
 Quantum Numbers
(What are the possibilities?)

l = 0, 1, 2,..., (n –1)
ml = − l ≤ ml ≤ l
 Fourth Quantum Number for e-’s
(spin quantum number)

• The “spin” of an electron

describes its magnetic
field, which affects its
energy.

• ms = 1/2 or -1/2

• Pauli Exclusion Principle: No two electrons in an

atom can have exactly the same energy. (each electron
has a unique address or set of 4 quantum numbers)
Cloud
1s orbital
density
picture

•When n=1, then l=0

•There is only 1 type or

Probability
versus r
orbital l=0, ml=0
plot

All s orbitals are

spherical in shape.
Boundary
surface
picture
s Orbitals
s orbitals possess n −1
nodes, or regions
where there is zero
probability of finding an
electron.

nodes
Angular nodes=planar
Radial = spherical

Angular nodes = l
Radial nodes=n-1-l
 p Orbitals

•When n=2, then l=0,1

There are 2 types of orbitals,
or two subshells
•For l=0, ml=0
This is a s subshell (2s)
•For l=1 ml= -1, 0, +1 When l = 1, there is one
This is a p subshell (2p) Angular (planar) Node
through the nucleus.
with three orbitals
2px,2py, 2pz Angular nodes = l = 1
2px Orbital Nodes 3px Orbital Nodes

Total node = n-1 = 1 Total node = n-1 = 2

Angular nodes = l = 1 Angular nodes = l = 1
Radial nodes = n-1-l = 0 Radial nodes = n-1-l = 1
 d Orbitals
• When n = 3
l = 0, 1, 2
3 subshells in energy shell n=3
• For l = 2, ml = -2, -1, 0, +1, +2
→ d subshell with 5 orbitals (3d)
 Quiz Question
Which of the following comparisons is true
concerning the 3s orbital and the 3dxy orbital?

A. 3s has more nodes than 3dxy

B. 3s has the same number of nodes as 3dxy
C. 3s has fewer nodes than 3dxy
D. Cannot be determined
E. All of the above
 Electron Configurations
and the Periodic Table

•Aufbau principle: electrons are placed in lowest energy

orbitals first.
 Writing Atomic Electron
Configurations
spdf notation
for H, atomic number = • Each box represents one
1 no. of orbital.
1
1s electrons • Half-arrows represent
the electrons.
value of l
value of n

One electron has n = 1, l =

0, ml = 0, ms = + 1/2
Second electron has n = 1, l
= 0, ml = 0, ms = - 1/2
Electron Configurations
Li 1s2 2s1
 Hund’s Rule
• It costs energy to put two electrons in the same
orbital (electrons repel each other)
• Electrons will go into different orbitals (of the same
energy) when possible
• The lowest energy is attained for degenerate orbitals
when there is a maximum number of unpaired
electrons.

Hund’s Rule on the Bus

Orbital Diagrams for
Multielectron Atoms

7 - 26
© 2014 W. W. Norton Co., Inc. 26
 Core vs. Valence electrons

C 1s22s22p2 Si 1s22s22p63s23p2
[He]2s22p2 [Ne]3s23p2

• Atoms with similar valence electrons have

similar chemistry.
• Valence e- are the electrons used in rxns.
They are more reactive than core e-. Why?
 Quiz Question
(think-pair-share)
2 2
[He]2s 2p is the electron
configuration of which element?
A. beryllium
B. boron
C. carbon
D. nitrogen
 Understanding Transition Metals
Transition metals are the “d-block”
4th period transition metals have the
configuration [Ar] 3dy 4sx

Chromium Copper
Iron
 Some Anomalies
What would you predict for the electron
configurations?

1. Cr [Ar] 3d44s2
2. Cu [Ar] 3d94s2

• 4s and 3d orbitals are very close in energy

• Half-filled or filled 3d is lower in energy than filled
4s

• Leads to anomalies!!
 Filling Order Exceptions
Cr = [Ar] 3d54s1
Cu = [Ar] 3d104s1
(Mo and Ag, Au behave similarly)

Special stability when a subshell is filled or ½ filled

Ions lose the outermost electrons first:

Cu = [Ar]3d104s1 and Cu+ = [Ar]3d10
 Magnetic Properties
Diamagnetic
▪ (slightly) repelled by a magnetic
field
▪ all electrons are paired

Paramagnetic
▪ attracted by a magnetic field
▪ at least one unpaired electron

Demo: Liquid Nitrogen and Liquid Oxygen in Magnet

 Predicting Ions

• Many atoms form stable ions by gaining or losing

the number of electrons necessary to be
isoelectronic with a noble gas.
• Isoelectronic = atoms with the same electron
configuration

For example: O2-, F-, Na+, Mg2+, and Al3+ are

isoelectronic with which noble gas?
 Beryllium
Group 2A
Atomic number = 4
1s22s2⟶ 4 total electrons
[He]2s2

Group 2A
Atomic number = 4
Ionic = Be2+ = lost two electrons
[He]2s2⟶[He]
Isoelectronic with He = 1s2
 Boron
Group 3A
Atomic number = 5
1s22s22p1⟶ 5 total
electrons
[He]2s22p1

Group 3A
Atomic number = 5
Ionic = B3+ = lost three electrons
[He]2s22p1⟶[He]
Isoelectronic with He = 1s2
 Nitrogen
Group 5A
Atomic number = 7
1s22s22p1⟶ 7 total electrons
[He]2s22p3

Group 5A
Atomic number = 7
Ionic = N3- = gained three electrons
[He]2s22p6⟶[Ne]
Isoelectronic with Ne = [He]2s22p6
 Oxygen
Group 6A
Atomic number = 8
1s22s22p4⟶ 8 total electrons
[He]2s22p4

Group 6A
Atomic number = 8
Ionic = O2- = gained two electrons
[He]2s22p6⟶[Ne]
Isoelectronic with Ne = [He]2s22p6
 Fluorine
Group 7A
Atomic number = 9
1s22s22p5⟶ 9 total electrons
[He]2s22p5

Group 7A
Atomic number = 9
Ionic = F- = gained one electron
[He]2s22p6⟶[Ne]
Isoelectronic with Ne = [He]2s22p6
 Neon
Group 8A
Atomic number = 10
1s2 2s2 2p6 g
10 total electrons

We have reached the end

of the 2nd period, and the
2nd shell is full!
 Predicting Ions
• Almost all transition metals form a +2 cation by
removal of the valence s orbital electrons.
• Transition metals that form additional cations lose
valence electrons from the outermost s shell and
then the outer d orbitals.

Fe: [Ar] 3d64s2

Fe2+: [Ar]3d6
Fe3+: [Ar]3d5