Lecture 2

Quantum Numbers
Refining Bohr’s Model

What are Quantum Numbers?
 Bohr defined the principal energy levels
(n = 1,2,3,4…)
 experimental evidence indicated the need
for changes to this simple system
 quantum numbers are quantized
values used to describe electrons in
an atom
 there are four quantum numbers
represented by the letters n (Bohr’s
number), l, ml and ms
What are Quantum Numbers?
 According to uncertainty principle isn't
impossible to locate electron precisely.
 We only say high or low probability of
finding electron
 Region where probability of finding
electron is high is called an orbital.
 The size and shape of energy levels,
orientation of e- in space as well as w.r.t
other e- are descried in terms of numbers
called quantum numbers.
The Principal Quantum Number, n
(Bohr, 1913)
 based on Bohr’s observations of line

spectra for different elements
 ‘n’ relates to the main energy of an
electron, size of orbit, and shell or
level to which e- belongs.
 allowable values: n = 1, 2, 3, 4, … (n can
take integral values from 1 to infinity)
 electrons with higher ‘n’ values have more
energy
The Orbital ( azimuthal )Quantum
Number, l
 based on the observation (Michelson, 1891)
that lines on line spectra are actually
groups of multiple, thin lines
 ‘l ’ reflect the number of subshells or
sublevels
 ‘l ’ relates to the shape of the electrons’
orbitals
 allowable values: l = 0 to l = n - 1
 i.e. for n = 4: l = 0, 1, 2, or 3
(integral values only)
 the ‘l ’ values 0, 1, 2, and 3 correspond to
the shapes we will call s, p, d and f,
respectively.
The Magnetic Quantum Number, ml
(Sommerfeld and Debye, 1915)
 based on the observation (Zeeman, 1897)

that single lines on line spectra split into new
lines near a strong magnet
 ‘ml ’ relates to the direction/orientation of
the electrons’ orbitals or sublevels in
space under the influence of applied
magnetic field.
 allowable values: ml = - l to + l
 i.e. for l = 2: ml = -2, -1, 0, 1, or 2
(2 l +1 values)
 In general 2l + 1 values
 electrons with the same l value but different

ml values have the same energy but different
orientations, for l= 0, ml = 0, so sublevel
will have only one orientation in MF.
The Spin Quantum Number, ms
(Pauli, 1925)
 based on the observation that magnets

could further split lines in line spectra, and
that some elements exhibit paramagnetism
 ‘ms ’ relates to the ‘spin’ of an electron
 allowable values: ms = - ½ or + ½
 i.e. for any possible set of n, l, and ml
values, there are two possible ms
values
 when two electrons of opposite spin are
paired, there is no magnetism observed; an
unparied electron is weakly magnetic
Defining Electrons Using
Quantum Numbers
Let’s look at the energy level n = 2:
 Possible l values: 0, 1
 For l = 0, ml = 0
 For l = 1, ml = -1, 0 or 1
 For every value of ml, there are two
electrons (ms = ½ and ms = - ½)
So, there would be 8 electrons found
in principal energy level 2 and they
would have the following
designations…
Orbits vs. Orbitals
 initially, electrons were thought to travel in orbits (2D, travels
around nucleus at fixed distance in a circular path, 2n2 electrons
per orbit)
 quantum theory describes electrons as existing in orbitals (3D
region, distance from nucleus varies, 2 electrons per orbital)
ORBIT ORBITAL
It is a region of space around
It is well-defined circular path
the nucleus where the
followed by electron around
probability of finding an
nucleus.
electron is maximum.
It represents two dimensional It represents three dimensional
motion of electron around motion of electron around
nucleus. nucleus.
The maximum no. of electrons The maximum no. of electrons
in an orbit is 2n2. in an orbital is 2.
Orbit is circular in shape. Orbitals have different shapes.
For our purposes:
 primary energy level (n) = ‘shell’

 energy sublevel (l) = ‘subshell’
 orbitals are named as a combination
of the n and l values
dx2-y2
 e.g. an electron may exist in a ‘2p’ orbital

(n = 2, l = 1 or p)
Energy-Level Diagrams
 now we can be more specific
 for every ‘n,’ energy increases from
spdf
 quantum number restrictions state that
there can only be:
 one s orbital (= 2 electrons) for any value of n
 three p orbitals (= 6 electrons) for n = 2,3,4, …
 five d orbitals (= 10 electrons) for n = 3,4,5, …
 seven f orbitals (=14 electrons) for n = 4,5,6, …

When Placing Electrons in Orbitals…
 Aufbau principle: The building up of electronic
configuration of different elements is dictated by Aufbau
principle. It states that lower-energy orbitals should
be filled first. There are two rules governing this
principle-
1. The orbital which has lower value of n+l are filled first.
2. If the sum of n+l is same for two orbitals then the orbital
with lower value of n is filled first because it has lower
energy.
3. For same value of n, For eg.
n l n+l
2s 2 0 2
2p 2 1 3
So 2s will be filled first and then 2p.
n l n+l
4s 4 0 4+0 =4
3d 3 2 3+2=5
So 4s will be filled first and then 3d.
n l n+l
4p 4 1 4+1 =5
3d 3 2 3+2=5
Same value of n+l so the orbitals with lower value of n
is filled first. So 3d will be filled first and then 4p.
Lowest energy
Diagram useful for writing

electronic configuration in
accordance with Aufbau
8s principle
Highest energy
 Hund’s rule: Electron must occupy all the
orbitals of a given sublevel singly before
pairing begins.
 Unpaired electrons have parallel spins.
 This rule applies to those orbitals of the
sublevel which are degenerate (have same
energy) for e.g px, py, pz.
 Write the correct mode?
 Pauli’s exclusion principle: No two electrons in
the same atom can have same value for all four
quantum numbers. For e.g
For two electrons A, B in 2s orbital
2s
A B
n=2 n=2
l=0 l=0
ml=0 ml=0
ms= +1/2 ms= -1/2
 Or two electrons within the same orbital must have
opposite spins
 For 1s and 2s? 2px and 2py ?

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Quantum Numbers

Refining Bohr’s Model

 based on Bohr’s observations of line

 based on the observation (Zeeman, 1897)

 electrons with the same l value but different

 based on the observation that magnets

 primary energy level (n) = ‘shell’

 e.g. an electron may exist in a ‘2p’ orbital

 five d orbitals (= 10 electrons) for n = 3,4,5, …

 seven f orbitals (=14 electrons) for n = 4,5,6, …

So 4s will be filled first and then 3d.

Diagram useful for writing

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