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2-4-14 - Lecture 9 - Chapter5

The document discusses the quantum mechanical model of atomic orbitals, detailing the three quantum numbers (principal, angular momentum, and magnetic) that define the shape, size, and energy of orbitals. It explains the structure of shells and subshells, including the types of orbitals (s, p, d, f) and their respective characteristics. Additionally, it covers electron configurations, including exceptions for transition elements and the filling order of electrons in various atomic structures.

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8 views41 pages

2-4-14 - Lecture 9 - Chapter5

The document discusses the quantum mechanical model of atomic orbitals, detailing the three quantum numbers (principal, angular momentum, and magnetic) that define the shape, size, and energy of orbitals. It explains the structure of shells and subshells, including the types of orbitals (s, p, d, f) and their respective characteristics. Additionally, it covers electron configurations, including exceptions for transition elements and the filling order of electrons in various atomic structures.

Uploaded by

profiledmale
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PPT, PDF, TXT or read online on Scribd
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Where is the particle?

Particle in a box

increase the
size of the box
Hydrogen Wavefunctions
Orbitals
• The Schrödinger equation describes the
properties of an allowed electron state:

 A quantized energy

 Labeled by 3 quantum numbers

 Properties may be determined from the


mathematical form of the wavefunction
QUANTUM
QUANTUM NUMBERS
NUMBERS
The shape, size, and energy of each orbital is a
function of 3 quantum numbers:
n (principal quantum number)  shell
ℓ (angular momentum (azimuthal) quantum number)
 subshell
mℓ (magnetic quantum number)
 designates an orbital
within a subshell
Shells & Subshells

• Each shell has a number called the


PRINCIPAL QUANTUM NUMBER, n
• The principal quantum number of the shell
is the number of the period or row of the
periodic table where that shell begins.
Shells

n=1

n=2
n=3
n=4
etc.
Principal Quantum Number
• n = 1, 2, 3, 4, 5, 6, . . . (an integer)
• Determines the energy, E = - R/n2
• Indicates the average distance of the
electron from the nucleus.
• The total number of nodes is n - 1
• Corresponds to the Bohr orbits
• Size of orbital is approximately n2 a0 (a0 is
the Bohr radius)
Angular Momentum
Quantum Number
• ℓ = 0, 1, 2, 3, . . . (n-1)
• different possible values for a given value of n
• specifies the shape of the orbital

 Coded using letters


ℓ 0 1 2 3 4 5 ...
code s p d f g h ...
Magnetic Quantum Number
• mℓ
• Values – ℓ, . . . . -1, 0, 1, . . . . ℓ
• 2ℓ + 1 different values
• Describes the orbital orientation in space
– Specifies the individual orbital of a particular shape
• Often gives the number of nodes parallel to the
z-axis.
QUANTUM NUMBERS

Symbol Values Description

n (principal) 1, 2, 3, .. Orbital size and


energy, E = -R(1/n2)

ℓ (angular) 0, 1, 2, .. n-1 Orbital shape or


type (subshell)

mℓ (magnetic) - ℓ..0..+ ℓ Orbital orientation


# of orbitals in
subshell = 2 ℓ + 1
Address of Electrons
Types of Atomic Orbitals
Shells
Shells and
and Subshells
Subshells
When n = 1, then ℓ = 0 and mℓ = 0
Therefore, in n = 1, there is 1 type of subshell
and that subshell has a single orbital
(mℓ has a single value  1 orbital)
The ℓ= 0 subshell is labeled s

Each shell has 1 orbital labeled s, and it is


SPHERICAL in shape.
1s Orbital
2s Orbital

node
3s Orbital

nodes
p Orbitals Typical
Typical pp orbital
orbital

When
When nn == 2, then ℓℓ == 00 and
2, then and 11
Therefore,
Therefore, in in nn == 22 shell
shell there
there
are
are 22 types
types of of orbitals
orbitals — — 22
planar
planar node
node
subshells
subshells
For ℓℓ == 00
For mm ℓℓ == 00 When ℓ = 1,
this there is a
this isis aa ss subshell
subshell (2s) (2s)
PLANAR NODE
For ℓℓ == 11 m
For m ℓℓ == -1,
-1, 0,
0, +1
+1 through
this
this is
is aa pp subshell
subshell (2p)with
(2p)with the nucleus.
33 orbitals
orbitals
pp Orbitals
Orbitals

• The three p orbitals lie 90o apart in space


2px Orbital 3px Orbital
The 2p Orbitals
dd Orbitals
Orbitals
When n = 3, what are the values of ℓ?
ℓ = 0, 1, 2
and so there are 3 subshells in the shell.
For ℓ = 0, mℓ = 0
 s subshell with single orbital (3s)
For ℓ = 1, mℓ = -1, 0, +1
 p subshell with 3 orbitals (3p)
For ℓ = 2, mℓ = -2, -1, 0, +1, +2
 d subshell with 5 orbitals (3d)
typical d orbital
dd Orbitals
Orbitals planar node

s orbitals have no planar


node (ℓ = 0) and are
spherical. planar node

p orbitals have ℓ = 1, with 1


planar node, are “dumbbell”
shaped.
d orbitals (with ℓ = 2) have
2 planar nodes
3dxy Orbital
3dxz Orbital
3dyz Orbital
3dx2- y2 Orbital
3dz2 Orbital
The 3d Orbitals
ff Orbitals
Orbitals
When n = 4, ℓ = 0, 1, 2, 3 so there are 4 subshells
in the shell.
For ℓ = 0, mℓ = 0
 s subshell with single orbital (4s)
For ℓ = 1, mℓ = -1, 0, +1
 p subshell with 3 orbitals (4p)
For ℓ = 2, mℓ = -2, -1, 0, +1, +2
 d subshell with 5 orbitals (4d)
For ℓ = 3, mℓ = -3, -2, -1, 0, +1, +2, +3
 f subshell with 7 orbitals (4f)
f-orbitals
Electron Spin Quantum
Number, ms

Electron
Electron spin
spin can
can be
be measured
measured experimentally.
experimentally.
Two
Two spin
spin directions
directions are
are given
given by
by
m
mss where
where mmss == +1/2
+1/2 and
and -1/2.
-1/2.
Orbital
Energies
Electron
Filling
Order
Valence Electrons
Transition Element
Configurations

3d
3d orbitals
orbitals
used
used for
for Sc-Zn
Sc-Zn
Filling Order Exceptions
Cr  [Ar] 3d54s1
Cu  [Ar] 3d104s1

• The neutral atom has a lower total energy if the d


orbital is half-full (d5) or full (d10)
– An electron from the full s orbital will transfer to the d
orbital in order for this to happen.
Lanthanides
Lanthanides and
and Actinides
Actinides
All these elements have the configuration
[core] (n - 2)fz (n - 1)dy nsx and so are “f-block”
elements.

Cerium
[Xe] 4f15d16s2

Uranium
[Rn] 5f36d17s2
Lanthanide Element
Configurations

4f
4f orbitals
orbitals used
used for
for CeCe --
Lu
Lu and
and 5f
5f for
for Th
Th -- Lr
Lr
Ion
Ion Configurations
Configurations

• A neutral atom becomes a cation when it


loses valence electrons
– In the order np, ns, and (n-1)d
• A neutral atom becomes an anion when it
gains electrons
– Wants to gain enough electrons until the next
noble-gas configuration is reached

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